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Machine Learning in Materials Design

 

abstract

Publications

      Books

      Book Chapters
    1. Luke E. K. Achenie, Angelo Lucia, Urmila Diwekar,, Guennadi Ostrovsky. Ullmann's Encyclopedia of Industrial Chemistry -- Process Systems Engineering, 3. Mathematical Programming (Optimization) - (October 2012). DOI: 10.1002/14356007.o22_o07


    2.  
    3. Quantitative Solvent Indices: for Tuning the Crystal Morphology of Carboxylic Acids, Charles Acquah and Luke E. K. Achenie, Lambert Academic Publishers, 2011, ISBN 978-3-8454-1038-8.


    4.  
    5. Computer Aided Molecular Design: Theory and Practice, Editors: Luke E. K. Achenie, Rafiqul Gani, & V. Venkatasubramanian, Elsevier Publishers, 2002, ISBN 0-444-51283-7). - see review of this book by Prof. Ka M. Ng in volume 35(2), 2004 of Separation and Purification Technology Journal.

    6.  

      Edited Journal Issue

    7. Special Issue of AER, Editor: Luke E. K. Achenie, Elsevier Publishers, Advances in Environmental Research, 8(2), 2004.

    8.  

      Book Chapters

    9. Luke E. K. Achenie, Angelo Lucia, Urmila Diwekar, Guennadi Ostrovsky. Ullmann's Encyclopedia of Industrial Chemistry -- Process Systems Engineering, 3. Mathematical Programming (Optimization) - (October 2012). DOI: 10.1002/14356007.o22_o07

    10.  
    11. Hacarlioglu, P., Achenie, L.E.K., and Oyama, S.T., "Ab Initio Studies of Silica-Based Membranes: Activation Energy of Permeation," (Chapter 4 in "Membrane Science and Technology", vol. 14, Elsevier Science Publishers, 2011).

    12.  
    13. Encyclopedia Ullmann's Encyclopedia (to appear) - sub-editor: Rafiqul Gani

    14.  
    15. Karunanithi, A.T. and Achenie, L.E.K., "Design of crystallization solvents for pharmaceutical products," (Chapter 4 in "Chemical Product Design: Towards a Perspective through Case Studies", ed. K.M. Ng, R. Gani and K. Dam-Johansen, Elsevier Science Publishers, 2006, ISBN 0444522174).
       
    16. Luke E. K. Achenie, Gennady Ostrovsky, (2006), Process Analysis and Optimization, in Chemical Engineering, [Eds. John Bridgwater, Martin Molzahn, Ryszard Pohorecki], in Encyclopedia of Life Support Systems (EOLSS), Developed under the Auspices of the UNESCO, Eolss Publishers, Oxford ,UK, [http://www.eolss.net]
       
    17. Achenie, L.E.K., Sinha, M. and Ostrovsky G.M., "Global Optimization in Solvent Design," (Book Chapter, Chapter 1 in "Global Optimization: Scientific and Engineering Case Studies", ed. Janos Pinter, Series: Nonconvex Optimization and Its Applications, Vol. 85, Springer Publishing, July 2006, ISBN 0-387-30408-8).
       
    18. Achenie, L.E.K., Ostrovsky G.M., "Multicriteria optimization under parametric uncertainty," (Chapter 8 in Applied Research in Uncertainty Modeling and Analysis, Editors Nii O. Attoh-Okine and Bilal Ayyub, Kluwer Academic Publishers, January 2005, ISBN 0-387-23535-3).
       
    19. Gani, R., Achenie, L.E.K. and Venkatasubramanian, V., "Introduction to CAMD," (Chapter 1 in "Computer Aided Molecular Design: Theory and Practice", ed. L.E.K. Achenie, R. Gani and V. Venkatasubramanian, Elsevier Publishers, 2002, ISBN 0-444-51283-7).
       
    20. Gani, R., Achenie, L.E.K. and Venkatasubramanian, V., "Challenges and Opportunities for CAMD," (Chapter 16 in "Computer Aided Molecular Design: Theory and Practice", ed. L.E.K. Achenie, R. Gani and V. Venkatasubramanian, Elsevier Publishers, 2002, ISBN 0-444-51283-7).
       
    21. Sinha, M., Achenie, Achenie, L.E.K. and Ostrovsky, G.M., "Optimization Methods in CAMD - I," (Chapter 3 in "Computer Aided Molecular Design: Theory and Practice", ed. L.E.K. Achenie, R. Gani and V. Venkatasubramanian, Elsevier Publishers, 2002, ISBN 0-444-51283-7).
       
    22. Sinha, M., Achenie, L.E.K. and Ostrovsky, G.M., "Case Study in Optimal Solvent Design," (Chapter 10 in "Computer Aided Molecular Design: Theory and Practice", ed. L.E.K. Achenie, R. Gani and V. Venkatasubramanian, Elsevier Publishers, 2002, ISBN 0-444-51283-7).
       
    23. Sinha, M., and Achenie, L.E.K., "CAMD in Solvent Mixture Design," (Chapter 11 in "Computer Aided Molecular Design: Theory and Practice", ed. L.E.K. Achenie, R. Gani and V. Venkatasubramanian, Elsevier Publishers, 2002, ISBN 0-444-51283-7).
       
    24. Achenie, L. E. K. and Sinha, M., "Environmentally Benign Synthesis of Refrigerants and Solvents," (Chapter 4 in Process Design Tools for the Environment, Editors S. K. Sikdar and M. El-Halwagi, Taylor & Francis, March 2001, ISBN 156032824X).
       
    25. Ostrovsky G.M., L.E.K. Achenie and Yu.M. Volin , "Optimization of Chemical Processes under uncertainty," (Book Chapter, pages 209-226 in "System Modeling and Optimization", ed. M.J.D. Powell and S. Scholtes, Kluwer Academic Publishers, June 2000, ISBN 0-7923-7881-4).
       

    26.  

      Journal

    27. Acquah, Charles; Cagnetta, Matthew; Achenie, Luke; Suib, Steven; Karunanithi, Arunprakash, "Effect of solvent topography and steric hindrance on crystal morphology", Ind. Eng. Chem. Res., Article ASAP, DOI: 10.1021/acs.iecr.5b02903, Publication Date (Web): October 21, 2015

    28.  
    29. Ma, Xianfeng; Li, Zheng; Achenie, Luke; Xin, Hongliang "Machine-Learning-Augmented Chemisorption Model for CO2 Electroreduction Catalyst Screening", J. Phys. Chem. Lett., 6, 3528-3533, 2015

    30.  
    31. Christopher R. Christie, C.R., Achenie, L.E.K, Ogunnaike, B.A., "A control engineering model of calcium regulation", J Clin Endocrinol Metab. 2014 Aug;99(8):2844-53. doi: 10.1210/jc.2013-3451. Epub 2014 Apr 14.

    32.  
    33. Pavurala, N. and Achenie, L.E.K., "Designing polymerstructures for odal drug delivery - a molecular design approach", Computers & Chemical Engineering, Volume 71, 4 December 2014, Pages 734-744

    34.  
    35. Ma, Sai; Loufakis, Despina; Cao, Zhenning; Chang, Yiwen; Achenie, Luke; Lu, Chang, "Diffusion-based microfluidic PCR for ‘one-pot‘ analysis of cells", Royal Society of Chemistry, 14, 2869-3111, 2014, ISSN 1473-0197

    36.  
    37. Sharifi, Y. and Achenie, L.E.K., "DFT Study of Mechanism and Kinetics of Hydrogenolysis of Toluene", J. Chem. Proc. Eng., 1, 104, 2014.

    38.  
    39. Barreto-Rodriguez, C.M.; Ramirez-Angulo, J.P.; Ramirez, J.M.G.; Achenie, L.E.K.; Barrios, A.F.G. "Dynamic flux balance analysis for predicting gene overexpression effects in batch cultures", J. Biol. Syst., 2014, DOI: 10.1142/S0218339014500107

    40.  
    41. Lerkkasemsan, N. and Achenie, L.E.K. "Pyrolysis of Biomass - Fuzzy Modeling", Renewable Energy, 66, 747-758, 2014.

    42.  
    43. Yang, Q. and Achenie, L.E.K. "Development of a force field for artemisinin and molecular dynamics simulation of the dissolution of artemisinin in different solvents", Ind. Eng. Chem. Res., 2013, 52 (19), 6462-6469, 2013 DOI: 10.1021/ie400524k

    44.  
    45. Yang, Q. and Achenie, L.E.K. "Development of a force field for artemisinin and molecular dynamics simulation of the dissolution of artemisinin in different solvents," Journal of Theoretical and Computational Chemistry, 2013, 12 (5), 1350038-1, 1350038-13, 2013 DOI: 10.1142/S0219633613500387

    46.  
    47. Yang, Q. and Achenie, L.E.K. "Comparing Penetrants Transport in Composite Poly (4-methyl-2-pentyne) and Nanoparticles of Cristobalite Silica and Faujasite Silica through Molecular Dynamics Simulation," Ind. Eng. Chem. Res., 2013, 52 (19), 6462-6469, 2013 DOI: 10.1021/ie400524k

    48.  
    49. Pinzon, A.M., Gonzalez-Barrios, A.F. and Achenie, L.E.K., "Computational models in plant-pathogen interactions: the case of Phytophthora infestans," Theor Biol Med Model, 6:24, 2009.

    50.  
    51. Yang, Q. and Achenie, L.E.K. "Comparing Penetrants Transport in Composite Poly (4-methyl-2-pentyne) and Nanoparticles of Cristobalite Silica and Faujasite Silica through Molecular Dynamics Simulation," (To Appear in ,Ind. Eng. Chem. Res., 2013, dx.doi.org/ 10.1021/ ie400524k )

    52.  
    53. Zhenxing Wang, Luke E.K. Achenie, Sheima J. Khatib, and S. Ted Oyama (2013),  "Mixed mechanism model for permeation of gases in hybrid inorganic-organic membranes,"  Ind. Eng. Chem. Res., 52, 3258-3265, 2013.

    54.  
    55. Gu, Yunfeng, Vaezian, Bita, Jatib Khatib, Sheima, Oyama, S. Ted, Wang, Zhenxing and Achenie, Luke (2011), "Hybrid H2-Selective Membranes Prepared by Chemical Vapor Deposition," Separation Science and Technology. 47(12), 1698-1708, 2012.

    56.  
    57. Barreto-Rodriguez, C.M., Ramirez-Angulo, J.P., Gomez-Ramirez, J.M., Achenie. LE.K., Gonzalez-Barrios, A.F., "Optimization of the bioconversion of glycerol to ethanol using Escherichia coli by Implementing a Bi-level Programming Framework for proposing Gene Transcription Control Strategies Based on Genetic Algorithms," Advances in Bioscience and Biotechnology, 3, 336-343, 2012.

    58.  
    59. Yang, Q. and Achenie, L.E.K. "Molecular Dynamics Simulation of Penetrants Transport in Composite Poly(4-methyl-2-pentyne) and Silica Nanoparticles," J. Phys. Chem. C, 116, 7409-7415, 2012.

    60.  
    61. Oyana, T.J., Achenie, L.E.K. and Joon Heo "MIL-SOM-A New Computationally Efficient SOM Algorithm: Potential Benefits for Large-Scale High-Dimensional Clinically Acquired Geographic Data," Computational and Mathematical Methods in Medicine., 2012,14, 2012.

    62.  
    63. Zhenxing Wang, Luke E.K. Achenie, Sheima Jativ Khativa and S. Ted Oyamaa, "Simulation study of carbon dioxide and methane gas permeation in hybrid organic-inorganic membrane," Journal of Membrane Science., 387/388, 30-39, 2012.

    64.  
    65. Lerkkasemsan, N., Abdoulmoumine, N., Achenie, L.E.K., and Agblevor, F., "Mechanistic Modeling of Palmitic Acid Esterification via Heterogeneous Catalysis," Ind. Eng. Chem. Res., 50, 1177-1186, 2011.

    66.  
    67. Gonzalez-Barrios, A.F. and Achenie, L.E.K., "Escherichia coli autoinducer-2 uptake network does not display hysteretic behavior but AI-2 synthesis rate controls transient bifurcation," Biosystems, 99(1), 17-26, 2010.

    68.  
    69. Pinzon, A.M., Gonzalez-Barrios, A.F. and Achenie, L.E.K., "Computational models in plant-pathogen interactions: the case of Phytophthora infestans," Theor Biol Med Model, 6:24, 2009.

    70.  
    71. Gonzalez-Barrios, A.F. and Achenie, L.E.K., "Quorum quenching analysis in Pseudomonas aeruginosa and Escherichia coli: network topology and inhibition mechanism effect on the optimized inhibitor dose," Bioprocess and Biosystems Engineering, 32(4), 1615-7591, 2009.
       
    72. Sharifi, Y. and Achenie, L.E.K., "Particle Dynamics in a CVD Reactor: A Multiscale Approach," Ind. Eng. Chem. Res., 48(13), 5969-5974, 2009.

    73. Acquah, C., Karunanithi, A. T., Cagnetta, M., Achenie, L.E.K. and Suib, S., "Solvent design for crystallization of carboxylic acids," Comp. & Chem. Eng., 33(5), 1014-1021, 2009.
       
    74. Acquah, C., Karunanithi, A. T., Cagnetta, M., Achenie, L.E.K. and Suib, S., "Linear Models for Prediction of Ibuprofen Crystal Morphology Based on Hydrogen Bonding Propensities," Fluid Phase Equilibria, 277, 73-80, 2009.
       
    75. Gonzalez-Barrios, A.F. and Achenie, L.E.K., "Quorum quenching analysis in Pseudomonas aeruginosa and Escherichia coli: network topology and inhibition mechanism effect on the optimized inhibitor dose," Bioprocess and Biosystems Engineering, 32(4), 1615-7591, 2009.
       
    76. Sharifi, Y. and Achenie, L.E.K., "Particle Dynamics in a CVD Reactor: A Multiscale Approach," Ind. Eng. Chem. Res., 48(13), 5969-5974, 2009.
       
    77. Acquah, C., Karunanithi, A. T., Cagnetta, M., Achenie, L.E.K. and Suib, S., "Solvent design for crystallization of carboxylic acids," Comp. & Chem. Eng., 33(5),1014-1021, 2009.
       
    78. Acquah, C., Karunanithi, A. T., Cagnetta, M., Achenie, L.E.K. and Suib, S., "Linear Models for Prediction of Ibuprofen Crystal Morphology Based on Hydrogen Bonding Propensities," Fluid Phase Equilibria, 277, 73-80, 2009.
       
    79. Karunanithi, A. T., Acquah, C. and Achenie, L.E.K., "Tuning the Morphology of Pharmaceutical Compounds via Model Based Solvent Selection," Chinese J. of Chem. Eng., 16(3),465-473, 2008.
       
    80. Karunanithi, A. T., Achenie, L.E.K., Sithambaram, S., Suib, S. and Gani, R., "An experimental verification of morphology of ibuprofen crystals from CAMD designed solvent," Chemical Engineering Science, 62, 3276-3281, 2007.
       
    81. Sharifi, Y. and Achenie, L.E.K. "Using Density Functional Theory to Postulate a Mechanism for Zinc Sulfide Formation in a CVD Reactor," Journal of Crystal Growth, 307, 440-447, 2007.
       
    82. Sharifi, Y. and Achenie, L.E.K. "Effect of substrate geometry on deposition rate in CVD," Journal of Crystal Growth, 304, 520-525, 2007.
       
    83. Yilmaz, O., Achenie, L.E.K. and Srivastava, R., "Systematic Tuning of Parameters in Support Vector Clustering," Mathematical Biosciences, 205, 252-270, 2007.
       
    84. Gupta, R. and Achenie, L.E.K., "A Network Model for Gene Regulation," Comp. Chem Eng. 31(8), 950-961, 2007.
       
    85. Glenn S. Belinsky, Ann L. Parke, Marti Rothe, Raymond Stoll, Kerry Blanchard, Qihong Huang, Suprya Jayadev, Petr Petrova1, Luke E. K. Achenie, Rishi R. Gupta, George Y. Wu and Daniel W. Rosenberg, "The Contribution of Methotrexate Exposure and Host Factors on Transcriptional Variance in Human liver", Toxicological Sciences, 97(2), 582-594, 2007.
       
    86. Vicki Grassian,Gerald Meyer, Héctor Abruña, Luke Ekem Achenie, Tom Allison, Bruce Brunschwig, Geoffrey Coates, John Ferry, Miguel Garcia-Garibay, Jorge Gardea-Torresdey, Clare Grey, James Hutchison, Chao-Jun Li, Charles Liotta, Shelley Minteer, Karl Mueller, Arthur Ragauskas, Jeffrey Roberts, Omowunmi Sadik, Russell Schmehl, William Schneider, Annabella Selloni, Peter Stair, Jon Stewart, Julian Tyson, Bettina Voelker, J. Michael White, Frankie Wood-Black, and David Thorn, "Chemistry for a Sustainable Future", Environmental Science & Technology, 4840-4846, July 15 2007.
       
    87. Charles Acquah, Andryas Mawardi, Ivan Datskov, Luke E.K. Achenie, Feng Zhang, Ranga Pitchumani, Eugene Santos, "Optimization of the optical fiber fabrication process under uncertainty," Ind. Eng. Chem. Res., 45, 8475-8483, 2006.
       
    88. Ostrovsky, G. M., Achenie, L.E.K., Datskov, I. and Volin, Yu. M., "Process Optimization Under Uncertainty When There is not Enough Data at the Operation Stage: The Use of Linearized Models," OPTE, 7, 249-276, 2006.
       
    89. Stanescu, I. and Achenie, L.E.K., "A Theoretical Study of Solvent Effects on Kolbe-Schmitt Reaction Kinetics," Chemical Engineering Science, 61, 6199- 6212, 2006.
       
    90. Stanescu, I., Gupta, R. and Achenie, L.E.K., "An in-silico study of solvent effects on the Kolbe-Schmitt reaction using a DFT method," Molecular Simulation, 32, 279-290, 2006.
       
    91. Charles Acquah, Andryas Mawardi, Ivan Datskov, Luke E.K. Achenie, Feng Zhang, Ranga Pitchumani, Eugene Santos, "Optimization under uncertainty of a composite fabrication process using a deterministic one-stage approach.," Comp. Chem Eng. 30, 947-960, 2006.
       
    92. Ostrovsky, G., Achenie, L. E. K., Datskov, I. and Volin, Y., "An Approach to Multicriteria Optimization under Uncertainty," Chemical Engineering Science, 61, 2379-2393, 2006.
       
    93. Karunanithi, A. T., Achenie, L.E.K. and Gani, R., "A computer aided molecular design framework for crystallization solvent design," Chemical Engineering Science, 61, 1243-1256, 2006.
       
    94. F. Zhang, A. Mawardi, E. Santos, R. Pitchumani, and L. Achenie, "Examination of Load-Balancing Methods to Improve Efficiency of a Composite Materials Manufacturing Process Simulation Under Uncertainty using Distributed Computing," Future Generation Computer Systems, 22(5), 571-587, 2006.
       
    95. Karunanithi, A.T., Achenie, L.E.K. and Gani, R., "A new decomposition based CAMD methodology for the design of optimal solvents and solvent mixtures," I &EC Research ,44, 4785-4797, 2005.
       
    96. S. Ou and L.E.K. Achenie, "Artificial neural network modeling of PEM fuel cells," Journal of Fuel Cell Science and Technology, 2(4), 226-233, 2005.
       
    97. S. Ou and L.E.K. Achenie, "A hybrid neural network model for PEM fuel cells", Journal of Power Sources,140, 319-330, 2005.
       
    98. Kalajzic, I., Staal, A.Ý, Yang, W.Ý, Wu, Y.Ý, Johnson, S.E. Ý, Feyen, J.H.M.Ý, Gupta, R.R., Kreuger, W., Maye, P., Yu, F.ý, Zhao, Y.ý, Kuo, L.ý, Wang, H-W.§, Achenie, L.E.K., Shin, D-G.§, Rowe, D.W., "Gene Expression Profile of Osteoprogenitor Lineage Cells at Defined Stages of Differentiation," J. Biol. Chem., 280: 24618 - 24626, 2005.
       
    99. S. Rajasekaran, R. Ammar, K. Reifsnider, L. E. K. Achenie, A. Mohamed, G. Zhang, and Mohamed Ahmed, "Efficient Parallel Simulation of Direct Methanol Fuel Cell Models," J. Fuel Cell Sci. Technol. 2, 141, 2005.
       
    100. P. R. Nambiar, M. Nakanishi, R. Gupta, E. Cheung, A. Firouzi, X. Ma, C. Flynn, M. Dong, K. Guda, J. Levine, R. Raja, L.E.K. Achenie, and D.W. Rosenberg, "Genetic Signatures of High- and Low--Risk Aberrant Crypt Foci in a Mouse Model of Sporadic Colon Cancer", Cancer Research, 64, 6394-6401, 2004.
       
    101. Ostrovsky, G., Achenie, L. E. K., Datskov, I. and Volin, Y., "Flexibility Analysis in the Case of Incomplete Information about Uncertain Parameters at the Operation Stage," Annals of Operations Research, 132, 257-275, 2004.
       
    102. Ostrovsky, G., Achenie, L. E. K., Datskov, I. and Volin, Y., "Uncertainty at Both Design and Operation Stages," Chemical Engineering Communications, 191, 105-124, 2004.
       
    103. Sinha, M. and Achenie, L.E.K., "A Framework for the Design of Blanket Wash Solvents," Advances in Environmental Research, 8(2), 213-227, 2004.
       
    104. Achenie, L.E.K., "Forward: Special Issue of Advances in Environmental Research," Advances in Environmental Research, 8(2), 149, 2004.
       
    105. Garg, S., Hansen, M.F., Rowe, D. W. and Achenie, L. E. K., "An Adaptive Strategy for Single and Multi Cluster Gene Assignment," Biotechnology Progress, 19, 1142-1148, 2003.
       
    106. Ostrovsky, G., Achenie, L. E. K., Datskov, I. and Volin, Y., "Optimization of chemical processes under uncertainty: the case of insufficient process data at the operation stage," AIChE J., 49, 1216-1232, 2003.
       
    107. Ostrovsky, G. M., Achenie, L. E. K., and Sinha, M. "A Reduced Dimension Branch-and-Bound Algorithm for Molecular Design," Computers & Chemical Engineering, 27(4), 551-567, 2003.
       
    108. Sinha, M., Achenie, L. E. K. and Gani, R., "Blanket Wash Solvent Blend Design Using Interval Analysis," I&EC Research, 42, 516-527, 2003.
       
    109. Guda, K.K., Cui, H., Garg, S., Achenie, L.E.K., Nambiar, P. and Rosenberg, D.W., "Multiscale gene expression profiling in a differentially susceptible mouse colon cancer model", Cancer Letters, 191, 17-25, 2003.
       
    110. Achenie, L. E. K., and Sinha, M., "Interval Global Optimization in Solvent Design," Reliable Computing, 9, 317-338, 2003.
       
    111. Ostrovsky, G. M., Sinha, M., and Achenie, L. E. K. "On the Solution of Mixed-Integer Nonlinear Programming Models for Computer Aided Molecular Design," Computers and Chemistry, 26(6), 645-660, 2002.
       
    112. Wang, Y. and Achenie, L.E.K., "A Hybrid Global Optimization Approach for Solvent Design," Comp. & Chem Eng., 26(10), 1415 - 1425, 2002.
       
    113. Wang, Y. and Achenie, L.E.K., "Computer Aided Solvent Design - Ethanol Extractive Fermentation Case Study," Fluid Phase Equilibria. 201, 1-18, 2002.
       
    114. Ostrovsky G.M., Achenie, L.E.K., Karalapakkam, A. and Yu.M. Volin, "Flexibility Analysis of Chemical Processes: Selected Global Optimization Sub-Problems," OPTE, 3, 31-52, 2002.
       
    115. Ostrovsky, G., Achenie, L. E. K., Wang, Y. and Volin, Y., "A Unique Approach for Solving Sub-Problems in Flexibility Analysis," Chem. Eng. Comm. 189 (1), 125-149, 2002.
       
    116. Garg, S. and Achenie, L.E.K., "Mathematical Programming Assisted Drug Design for Non-classical Antifolates," Biotechnology Progress, 17, 412-418, 2001.
       
    117. Ostrovsky, G., Achenie, L. E. K., and Volin, Yu. M., "Optimization of Chemical Processes Under Model and Process Uncertainty," Trends in Chemical Engineering, 6, 17-42, 2001.
       
    118. Sinha, M. and Achenie, L. E. K. "Issues in and a Framework for the Design of Blanket Wash Solvents in the Printing Industry," Advances in Environmental Research, 5(3), 239-249, 2001.
       
    119. Achenie, L. E. K., Butkus, M., Grasso, D. "A comparative study of neural network and mechanistic models for surface complexation," Advances in Environmental Research, 5(2), 137-143, 2001.
       
    120. Ostrovsky, G.M., Achenie, L. E. K., Wang, Y., and Volin, Y., "A New Algorithm for Computing Process Flexibility," I&EC Research, 39, 2368-2377, 2000.
       
    121. Ostrovsky, G.M., Achenie, L. E. K., Gomelsky, V., and Volin, Y.,"A New Approach to Flexibility Analysis," Hungarian Journal of Industrial Chemistry, 28, 27-30, 2000.
       
    122. Sinha, M., Achenie, L. E. K. and Ostrovsky, G. M. "Design of Environmentally Benign Solvents via Global Optimization," Comp. Chem Eng. 23, 1381-1394, 1999.
       
    123. Ostrovsky, G. M., Achenie, L. E. K. and Y. Wang, "Deterministic Methods of Flexibility Analysis," Comp. & Chem. Eng. Suppl., 23, 387-390, 1999.
       
    124. Zhao, M., Garrick, N. W. and Achenie, L. E. K. "Data Reconciliation-Based Traffic Count Analysis System," Transportation Research Record, 1625, 12-17, 1998.
       
    125. Duvedi, A. P. and Achenie, L. E. K. "On the Design of Environmentally Benign Refrigerant Mixtures: a Mathematical Programming Approach," Computers & Chemical Engineering, 21, 8, 915-923, 1997.
       
    126. Churi, N. and Achenie, L. E. K. "On the Use of a Mixed Integer Nonlinear Programming Model for Refrigerant Design," Int. Trans. Opl. Res., 3, 1, 1-21, 1997.
       
    127. Churi, N. And Achenie, L. E. K., "An MINLP Model for Optimal Design of Refrigerant Mixtures for a Two-Evaporator Refrigeration System," Computers & Chemical Engineering, 21, 13, 349-354, 1997.
       
    128. Churi, N. and Achenie, L. E. K. "A Novel Mathematical Programming Model for Computer Aided Molecular Design," I&EC Research, 35, 10, 3788-94, 1996.
       
    129. Duvedi, A. P. and Achenie, L. E. K. "Designing Environmentally Safe Refrigerants Using Mathematical Programming," Chemical Engineering Science, 51, 15, 3727-3739, 1996.
       
    130. Yuan, L., Achenie, L. E. K., and Jiang, W., "Robust H-infinity Control for Linear Discrete Time Systems with Norm-Bounded Time-Varying Uncertainty," Systems and Control Letters , 27, 4, 199-208, 1996.
       
    131. Yuan, L., Achenie, L. E. K., and Jiang, W., "Linear Quadratic Optimal Output Feedback Control for Systems with Poles in a Specified Region," International Journal of Control, 64, 6, 1151-1164, 1996.
       
    132. Devika, P. D. and Achenie, L. E. K., "On the Use of Quasi-Newton Based Training of a Feed Forward Neural Network for Time Series Forecasting," Journal of Intelligent & Fuzzy Systems, 3, 4, 287-294, 1995.
       
    133. Sawyer, C. S.; Achenie, L.E.K.; Lieuallen, K. K., "Estimation of aquifer hydraulic conductivities: A neural network approach," International Association of Hydrological Sciences, 227,177,1995.
       
    134. Kalikiri, V. K., Garrick, N. W. and Achenie, L. E. K. "Processing Techniques for Evaluating Images Processed by the Connecticut Photolog System," Transportation Research Record, 1435, 45-52, 1994.
       
    135. Duvedi, A. P. and Achenie, L. E. K., "A Mathematical Programming Based Approach to Refrigerant Design," Simulators International XII, Simulation Series, 27, 254-259, 1995.
       
    136. Ferrigno, S. A. and Achenie, L. E. K., "Neuro-Control of the Liquid Level of Draining Tanks in Series," Intelligent Engineering Systems Through Artificial Neural Networks, 4, 929, 1994.
       
    137. Kalikiri, V., Garrick, N and Achenie, L. E. K., "Artificial Neural Networks for Pavement Evaluation," Intelligent Engineering Systems Through Artificial Neural Networks, 4, 461, 1994.
       
    138. Sawyer, C. S., Achenie, L. E. K. and Lieuallen, K. K. "An Evaluation of a Neural Network Method for Aquifer Hydraulic Conductivities Estimation," Intelligent Engineering Systems Through Artificial Neural Networks, 4, 1167, 1994.
       
    139. Achenie, L. E. K., "A Quasi Newton Based Approach to the Training of the MultiLayer Perceptron," Intelligent Engineering Systems Through Artificial Neural Networks, 3, 155, 1993.
       
    140. Cooper, D. J. and Achenie, L. E. K., "Research on Neural Networks, Optimization and Process Control," Chem. Engr. Education, 26, 4, 176, 1992.
       
    141. Achenie, L. E. and Biegler, L. T., "A Superstructure Based Approach to Chemical Reactor Network Synthesis," Comp. Chem Eng. 14 23-40, 1990.
       
    142. Achenie, L. E. and Biegler, L. T., "Developing Targets for the Performance Index of a Chemical Reactor Network: Isothermal Systems," Ind. Eng. Chem. Fundam. 27, 1811-1821, 1988.
       
    143. Achenie, L. E. and Biegler, L. T., "Algorithmic Synthesis of Chemical Reactor Networks using Mathematical programming," Ind. Eng. Chem. Fundam. 25, 621-627, 1986.
       

    144.  

      Journal Articles Currently In Press

    145. Pinzon, A.M., Gonzalez-Barrios, A.F. and Achenie, L.E.K., "Computational models in plant-pathogen interactions: the case of Phytophthora infestans," (to appear in Theoretical Biology and Medical Modeling).

    146.  
       

      Proceedings

      (peer reviewed)

    147. Jordan Crow, Luke E. K. Achenie, Chang Lu, Sai Ma, Despina N. Loufakis, Zhenning Cao, Yiwen Chang, 2015, Optimal design of microfluidic platforms for diffusion-based PCR for "one-pot" analysis of cells, page 1199, 12TH INTERNATIONAL SYMPOSIUM ON PROCESS SYSTEMS ENGINEERING & 25th EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING, 12th International Symposium on Process Systems Engineering and 25th European Symposium on Computer Aided Process Engineering, Edited by Krist V. Gernaey, Jakob K. Huusom and Rafiqul Gani, Department of Chemical and Biochemical Engineering, CAPEC-PROCESS Research Center, Technical University of Denmark, DK-2800 Lyngby, Denmark
    148. Achenie, L. Ostrovsky, G. and Datskov, I.; Multicriteria Optimization under Uncertainty: Average Criteria Method. In the Proceedings of the International Conference on Vulnerability and Risk Analysis and Management (ICVRAM 2011), Hyattsville, MD, April 2011.
       
    149. Nuttapol Lerkkasemsan, Nourredine Abdoulmoumine, Luke Achenie, Foster Agblevor, "Mechanistic Modeling of Palmitic Acid Esterification", Proceedings of the First International Symposium on Sustainable Chemical Product and Process Engineering, Hangzhou, China, May 2010.
       
    150. Sharifi, Y., Achenie, L.E.K. "Design and Optimization of the Substrate Geometry for Zinc Sulfide Deposition," Proceedings of FOCAPD 2009, Editors: M. El-Hawalgi and A. Linninger, CACHE/CRC Press, paper 67, page 709-715, 2009.
       
    151. Karunanithi, A. T., Achenie, L.E.K. Gani, R., "Biodiesel Process Design Through a Computer Aided Molecular Design Approach," Proceedings of FOCAPD 2009, Editors: M. El-Hawalgi and A. Linninger, CACHE/CRC Press, paper 93, page 979-986, 2009.
       
    152. Karunanithi, A. T., Acquah, C. and Achenie, L.E.K., "Tuning the Morphology of Pharmaceutical Compounds via Model Based Solvent Selection", Proceedings of the First International Symposium on Sustainable Chemical Product and Process Engineering, Guangzhou, China, September 2007.
       
    153. Achenie, L.E.K., "Multicriteria optimization Under Uncertainty - Considering Insufficient Process Data at the Operation Stage", Proceedings of the European Congress of Chemical Engineering - 6, Copenhagen, Bella Center, 16-21 September 2007
       
    154. Oyana, T. J., Achenie, L. E. K., Cuados-Vargas, E., Rivers, P. A. and Scott, K. E. (2006). "A Mathematical Improvement of the Self-Organizing Map Algorithm." In Jackson A. Mwakali and Gyavira Taban-Wani, Advances in Engineering and Technology, London, Great Britain: Elsevier Publishers, pp.522-531.
       
    155. Achenie, L.E.K., Vladik Kreinovich and Kaj Madsen, "Interval Methods: An Introduction", In Applied Parallel Computing: 7th International Conference, PARA 2004, Lyngby, Denmark, June 20-23, 2004, Editors J. Dongarra, K. Madsen, and J. Wasniewski, Springer-Verlag, 3732,53-56, 2006.
       
    156. Achenie, L.E.K. and Ostrovsky, G.M., "A Chemical Engineering Challenge Problem that can Benefit from Interval Methods," In Applied Parallel Computing: 7th International Conference, PARA 2004, Lyngby, Denmark, June 20-23, 2004, Editors J. Dongarra, K. Madsen, and J. Wasniewski, Springer-Verlag, 3732,57-64, 2006.
       
    157. Karunanithi, A. T. and Achenie, L.E.K. "Integration of pharmacokinetic modeling in rational drug design framework," Proceedings of World Congress of Chemical Engineering, CD-ROM, 2005.
       
    158. Gupta, R. and Achenie, L.E.K. "An Implementation of Recurrent Neural Network Approach Towards Gene Pathway Analysis," Proceedings of World Congress of Chemical Engineering, CD-ROM, 2005.
       
    159. Stanescu, I. and Achenie, L.E.K. "Theoretical study of reaction kinetics and solvent effects on Kolbe-Schmitt reaction using ab-initio calculations and computer aided molecular design," Proceedings of World Congress of Chemical Engineering, CD-ROM, 2005.
       
    160. "Decomposed CAMD strategy for solvent mixture design," Proceedings of FOCAPD 2004, Editors: CA Floudas and R. Agrarwal, CACHE, 6, 362-364, 2004.
       
    161. Karunanithi, A. T., Achenie, L.E.K. and Gani, R. "Decomposed CAMD strategy for solvent mixture design," Proceedings of FOCAPD 2004, Editors: CA Floudas and R. Agrarwal, CACHE, 6, 362-364, 2004.
       
    162. Datskov, I., Ostrovsky, G., Achenie, L. E. K. "Multi-criteria optimization of chemical processes under uncertainty," Proceedings of FOCAPD 2004, Editors: CA Floudas and R. Agrarwal, CACHE, 6, 521-524, 2004.
       
    163. Karunanithi, A. T., Achenie, L.E.K. and Gani, R. "Optimal (Solvent) Mixture Design through a Decomposition Based CAMD methodology," European Symposium on Computer Aided Process Engineering, Editors: Ana Barbosa-Povoa and Henrique Matos, Elsevier Science, 14, 217-222, 2004.
       
    164. Achenie, L.E.K. and Ostrovsky, G., "Split and Bound Method for Process Optimization Under Parametric Uncertainty," Fourth International Symposium on Uncertainty Modeling and Analysis (ISUMA), College Park, MD, September 2003.
       
    165. Wang, Y.P. and Achenie, L.E.K., "A Hybrid Global Optimization Approach for Solving MINLP Models in Product Design," European Symposium on Computer Aided Process Engineering, Editors: Grievink, Van Schijndel, Elsevier Science, 12, 997-1002, 2002.
       
    166. Garg, S. and Achenie, L.E.K., "Systems engineering approaches for gene expression profiling," European Symposium on Computer Aided Process Engineering, Editors: Grievink, Van Schijndel, Elsevier Science, 12, 883-888, 2002.
       
    167. Wang, Y.P. and Achenie, L.E.K., "A New Mathematical Programming Strategy for Computer-Aided Solvent Design," European Symposium on Computer Aided Process Engineering, 11,585-590, 2001.
       
    168. Garg, S. and Achenie, L.E.K., "Genome Wide Functional Annotation using Mathematical Programming," European Symposium on Computer Aided Process Engineering, 11, 1133-1138, 2001.
       
    169. Wang, Y.P. and Achenie, L.E.K., "A CAPD Approach for Reaction Solvent Design," 6th International World Congress of Chemical Engineers, Australia, 2001. (Conference Proceedings available electronically on a CD).
       
    170. S. Garg and L.E.K. Achenie. A systematic approach to genome-wide functional annotation, 6th International World Congress of Chemical Engineers, Australia, 2001. (Conference Proceedings available electronically on a CD).
       
    171. Achenie, L.E.K. and Ostrovsky, G., " Designing Flexible Steady State Chemical Processes," 6th International World Congress of Chemical Engineers, Australia, 2001. (Conference Proceedings available electronically on a CD).
       
    172. Churi, N. and Achenie, L. E. K., "A Structural Optimization Approach to Computer Aided Molecular Design," 5-th World Congress of Chemical Engineering, 1, 147-152, 1996.
       
    173. Ferrigno, S. and Achenie, L. E. K., "Quasi-Newton Training in Supervised Neural Networks: An Application to Process Control," 5-th World Congress of Chemical Engineering, 1, 15-20, 1996.
       
    174. Achenie, L. E. K., "Computational Experience with a Quasi-Newton Based Training of the Feedforward Neural Network," Proceedings of the International Neural Network Society, 3, 607, 1994.
       
    175. Devika, P. D. and Achenie, L. E. K., "Experience with Using a Neural Network for Forecasting Time Series," Proceedings of the International Neural Network Society, 2, 315, 1994.
       
    176. Kalikiri, V., Garrick, N and Achenie, L. E. K., "Pavement Surface Evaluation Using Neural Networks," Proceedings of the International Neural Network Society, 1, 484, 1994.
       
    177. Venkataraman, R. Fenton, J.M. and L. E. K. Achenie, "Parameter Estimation and Electrochemical Reactor Optimization Using Fundamental Electrochemical Engineering Models," Proceedings of the Symposia Tutorials in Electrochemical Engineering - Mathematical Modeling, (R. F. Savinell, A. C West, J. M. Fenton, and J. Weidner, eds.), The Electrochemical Society, Vol. 99-14, pp. 261, 1999.
       
    178. Ostrovsky, G. M., Achenie, L. E. K., and Gomelsky, V., "A New Approach to Flexibility Analysis," PRESS '99, 2nd Conference on Process Integration, Modeling and Optimization for Energy Saving and Polution Reduction, Bhudapest, Hungary, May 1999.
       
    179. Sinha, M., and Achenie, L. E. K., "Computer Aided Solvent Design for Lithographic Blanket Wash System ," AIChE Topical Conference on Pollution Prevention and Risk Reduction, Miami, Florida, November 1998.
       
    180. Zhao, M., Garrick, N. and Achenie, L. E. K. "Data Reconciliation Based Traffic Count Analysis System," Transportation Research Board, Washington D.C., January 1998.
       
    181. Oh, H-k, Garrick, N.W., Achenie, L.E.K., "Segmentation Algorithm Using Iterative Clipping for Processing Noisy Pavement Images," Imaging Technologies: Techniques and Applications in Civil Engineering, Proceedings of the Second International Conference, ASCE, pg. 138, May 25-30, 1997.
       
    182. Oh, H., Garrick, N. and Achenie, L. E. K. "Automated Pavement Evaluation System for Pavement Distress Assessment," Transportation Research Board, 77th Annual Meeting. Preprint 981243, Washington, D.C., January 1998.
       
    183. Zhao, M., Garrick, N. and Achenie, L. E. K. "Data Reconciliation Based Traffic Count Analysis System," Transportation Research Board, Washington D.C., January 1998.
       
    184. Kalikiri, V. K., Garrick, N. W. and Achenie, L. E. K. "An Intelligent System for Automated Pavement Distress Evaluation," International Conference on Advanced Technologies in Transportation and Traffic Management, Proceedings, 431-436, May 1994.
       
    185. Achenie, L. E. K. and Fenton, J., "A Simultaneous Approach to the Solution and Optimization of a Zinc Bromine Battery Flow Cell Model," Proceedings of the Symposia on Chlor-Alkali and Chlorate Production and New Mathematical and Computational Methods in Electrochemical Engineering, 354-363, 93, 14, 1993.
       

    186.  

      Proceedings

      (not peer reviewed)

    187. Garg, S. and Achenie, "An Adaptive Strategy for Multicluster Gene Assignment," Bioinformatics, Proteomics, and Functional Genomics Conference Proceedings, 142-147, Indianapolis, IN, November, 2002.
       
    188. Garg, S. and Achenie, "An Adaptive Strategy for Multicluster Gene Assignment," Topical Conference Proceedings of the 2001 Bioinformatics and Genomics Symposium and the 2001 Annual Meeting of the American Electrophoresis Society, 19-22, Reno, NV, November, 2001.
       

    189.  

      Abstracts

      (several missing)

    1. Jamelle Simmons, Yong W. Lee and Luke Achenie, "Computational Modeling of Drug Delivery Across The Blood-Brain Barrier (BBB) For The Treatment of Autism Spectrum Disorder (ASD)", Autism Research Symposium, March 4th 2016, Fairview Marriott, Falls Church, VA.
    2. Reina S. Factor, Luke E. K. Achenie, Angela Scarpa, Marlene V. Strege, Diana L. Robins, D. Scott McCrickard, Examining the influence of race and gender on Autism Spectrum Disorder Screening using the M-CHAT-R: A self-organizing map approach, IMFAR 2016, May 11-14, Baltimore Convention Center, Baltimore, Maryland USA
    3. Reina S. Factor, Luke E. K. Achenie, Angela Scarpa, Marlene V. Strege, Diana L. Robins, D. Scott McCrickard, Using Machine Learning to differentiate Autism Spectrum Disorder risk status groups on M-CHAT-R responses, 49th Annual Gatllinburg Conference San Diego, CA March 2016.
    4. Simmons, J., Achenie, L., Lee, Y.W. (2016, oral talk) Computational Modeling of Drug Delivery across the Blood-Brain Barrier (BBB) for the Treatment of Autism Spectrum Disorder. Virginia Tech Center for Autism Research (VTCAR) Autism Research Symposium 2016. March 4th 2016, Fairview Marriott Falls Church Virginia
    5. Jordan Crow, Luke E. K. Achenie, Chang Lu, Sai M, Despina Nelie Loufakis, Zhenning Cao, and Yiwen Chang, Optimal Design of Microfluidic Platforms for Diffusion-Based PCR for "One-Pot" Analysis of Cells, 12th International Symposium on Process Systems Engineering and 25th European Symposium on Computer Aided Process Engineering, 31 May - 4 June 2015, Copenhagen, Denmark
    6. Simmons, J., Achenie, L., Lee, Y.W. (2015, poster) Diffusion Model across a Blood-Brain Barrier (BBB) Mimic for the Treatment of Autism Spectrum Disorder (ASD). School of Biomedical Engineering and Sciences (SBES) Symposium. May 11th 2015, Virginia Tech-Wake Forest, Winston Salem North Carolina
    7. Factor, R. S., Achenie, L.E.K., Scarpa, A., Strege, M. V., Robins, D. L., & McCrickard, S., "Examining the influence of race and gender on Autism Spectrum Disorder Screening using the M-CHAT-R: A self-organizing map approach", International Meeting for Autism Research, 2015, Baltimore, MD.
    8. Riha Shah and Luke E. K. Achenie, "Machine Learning through K-Clustering Algorithm in Netlogo", 2015 Annual Biomedical Research Conference for Minority Students (ABRCMS), November 11 - 14, 2015, Washington State Convention Center in Seattle, WA.
    9. Abstract ID: 1546 -- Abstract Title: 'Computational Modeling Of Drug Delivery Across The Blood-Brain Barrier (BBB) For The Treatment Of Autism Spectrum Disorder (ASD), Biomedical Engineering Society (BMES) Annual Meeting, October 7-10, 2015 in Tampa, Florida.
    10. Simmons, J., Achenie, L., Lee, Y.W. (2015, oral talk) Computational Modeling of Drug Delivery across the Blood-Brain Barrier (BBB) for the Treatment of Autism Spectrum Disorder. North Carolina Biosciences Collaborative Symposium (BioCoRE). July 30-31st 2015, Duke University, Durham, North Carolina
    11. Simmons, J., Achenie, L., Lee, Y.W. (2015, poster) Computational Modeling of Drug Delivery across the Blood-Brain Barrier (BBB) for the Treatment of Autism Spectrum Disorder. Biomedical Engineering Society (BMES) 2015. October 7-10th 2015, Tampa, Florida
    12. Simmons, J., Achenie, L., Lee, Y.W. (2015, poster) Computational Modeling of Drug Delivery across the Blood-Brain Barrier (BBB) for the Treatment of Autism Spectrum Disorder. School of Biomedical Engineering and Sciences (SBES) Symposium. May 14th 2015, Virginia Tech-Wake Forest, Blacksburg Virginia
    13. Simmons, J., Achenie, L., Lee, Y.W. (2015, oral talk) Computational Modeling of Drug Delivery across the Blood-Brain Barrier (BBB) for the Treatment of Autism Spectrum Disorder. Virginia Tech Center for Autism Research (VTCAR) Conference 2015. September 25th 2015, Virginia Tech, Blacksburg Virginia
    14. Q. Yang, L.E. Achenie, Molecular dynamics simulation of the transport of H2, O2, Ar, CH4 and n-C4H10 in composite poly (4-methyl-2-pentyne) and nanoparticle of cristobalite silica and faujasite silica, Nanotech Conference, May 2013, Baltimore, MD
       
    15. Zhenxing Wang, Luke E.K. Achenie, 2012 ACS spring meeting, "MD simulation of CO2/CH4 Gas Separation with Hybrid Membrane."
       
    16. Zhenxing Wang, Luke E.K. Achenie, 2011 AICHE annual meeting, "MD simulation of CO2/CH4 Gas Separation with Hybrid Membrane."
       
    17. Zhenxing Wang, Luke E.K. Achenie, 2010 AICHE annual meeting, "Simulation of the Gas Separation in Hybrid Inorganic-Organic Membrane."
       
    18. Zhenxing Wang, Luke E.K. Achenie, S. Ted Oyama, 2009 AICHE annual meeting, "Molecular Modeling of the Gas Separation in Hybrid Inorganic-Organic Polymeric Membrane".
       
    19. Luke E. K. Achenie and Yousef Sharifi. Molecular modeling as an important step in the Multiscale study of the CVD process (COMP 21), ACS Spring Annual Meeting, Salt Lake City, UT, March 2009. [Contributed, National]
       
    20. Arunprakash T. Karunanithi, Charles Acquah and Luke E. K. Achenie. Solvent Topography and Steric Factors: Effects on Crystal Morphology (Paper 235g), AIChE Annual Meeting, Philadelphia, PA, November 2008. [Contributed, National]
       
    21. Charles Acquah, Arunprakash T. Karunanithi and Luke E. K. Achenie. Linear Models for Prediction of Ibuprofen Crystal Morphology Based on Hydrogen Bonding Propensities (Paper 744a), AIChE Annual Meeting, Philadelphia, PA, November 2008. [Contributed, National]
       
    22. Yousef Sharifi and Luke E. K. Achenie. Cluster Formation and Particle Dynamic in Zinc Sulfide CVD Reactor (Paper 503a), AIChE Annual Meeting, Salt Lake City, UT, November 2007. [Contributed, National]
       
    23. Yousef Sharifi and Luke E. K. Achenie. Ab-Initio Study on Zinc Sulfide Formation Mechanism in A CVD Reactor (Paper 446c), AIChE Annual Meeting, Salt Lake City, UT, November 2007. [Contributed, National]
       
    24. Yousef Sharifi and Luke E. K. Achenie. DFT Study on the Kinetics of Hydrogenolyses of Xylene and Toluene (Paper 334f), AIChE Annual Meeting, Salt Lake City, UT, November 2007. [Contributed, National]
       
    25. Yousef Sharifi , Luke E. K. Achenie and Biegler, L. Effects of Substrate Geometry on the Deposition Process in A CVD Reactor (Paper 510ac), AIChE Annual Meeting, Salt Lake City, UT, November 2007. [Contributed, National]
    26. Charles Acquah , Arunprakash T. Karunanithi and Luke E. K. Achenie. Quantitative Analysis Of H-Bonding Interactions: Relation To Crystal Shape And Size (Paper 410f), AIChE Annual Meeting, Salt Lake City, UT, November 2007. [Contributed, National]
       
    27. Arunprakash T. Karunanithi, Charles Acquah and Luke E. K. Achenie. Solvent Design For Pharmaceutical Process: A Combined Experimental, Computer-Aided Molecular Design And Database Search Approach (Paper 496d), AIChE Annual Meeting, Salt Lake City, UT, November 2007. [Contributed, National]
       
    28. Ozlem Yilmaz, Luke E. K. Achenie, and Ranjan Srivastava. Sensitivity Analysis on MS2 Viral Dynamics Using Interval Mathematics, Joint Genomics: GTL Awardee Workshop V and Metabolic Engineering 2007 and USDA-DOE Plant Feedstock Genomics for Bioenergy Awardee Workshop 2007. [Contributed, Workshop]
       
    29. Charles Acquah, Arunprakash T. Karunanithi and Luke E. K. Achenie. Solvents for Crystallization (Paper 583b), AIChE Annual Meeting, San Francisco, CA, November 2006. [Contributed, National]
       
    30. Rafiqul Gani, Loic d'Anterroches, and Luke E. K. Achenie. A Simple New Concept for Chemical Process Flowsheet Design and Analysis (Paper 460a), AIChE Annual Meeting, San Francisco, CA, November 2006. [Contributed, National]
       
    31. Charles Acquah, Arunprakash T. Karunanithi and Luke E. K. Achenie. Solvent Effect on Morphology of Crystals (Paper 319g), AIChE Annual Meeting, San Francisco, CA, November 2006. [Contributed, National]
       
    32. Andres Fernando Gonzalez Barrios and Luke E. K. Achenie. E. Coli Autoinducer 2 Uptake Could Be Induced by Intracellular Factors Such as Luxs Rate but Not Necessarily by the Cell Density: Analysis of the Network Topology Using Bifurcation Analysis (Paper 451af), AIChE Annual Meeting, San Francisco, CA, November 2006. [Contributed, National]
       
    33. Ozlem Yilmaz, Luke E. K. Achenie, and Ranjan Srivastava. Sensitivity Analysis on Ms2 Viral Dynamics Using Interval Mathematics (Paper 451ag), AIChE Annual Meeting, San Francisco, CA, November 2006. [Contributed, National]
       
    34. Oyana, T.J., Achenie, L.E.K., Cuadros-Vargas, E., Rivers, P.A., and Scott, K.E. 2006. A Mathematical Improvement of the Self-Organizing Map Algorithm. International Conference on Advances in Engineering and Technology (AET 2006), July 16-19, 2006. [Contributed, International]
       
    35. A deterministic model for PEM fuel cells: analysis of water management [in Session 10D08], Shaoduan Ou and Luke E. K. Achenie, AIChE Annual Meeting, Cincinnati, November 2005. [Contributed, National]
       
    36. Computational Quantum Chemistry for Drug Screening using the Conjugate Capping Method for Full Protein-Inhibitor Energy Prediction [in Session 21023], Rishi R. Gupta and Luke E. K. Achenie, AIChE Annual Meeting, Cincinnati, November 2005. [Contributed, National]
       
    37. A mathematical programming network model for gene pathway analysis [in Session 21010], Rishi R. Gupta and Luke E. K. Achenie, AIChE Annual Meeting, Cincinnati, November 2005. [Contributed, National]
       
    38. Optimization under uncertainty applied to optical fiber and pultrusion processes [in Session 10A08], Charles Acquah, Andryas Mawardi, Feng Zhang, Luke E. Achenie, Ranga Pitchumani and Eugene Santos, AIChE Annual Meeting, Cincinnati, November 2005. [Contributed, National]
       
    39. Crystal morphology considerations in processing of pharmaceutical drugs: A computer aided molecular design (CAMD) approach [in Session 04013], Arunprakash T. Karunanithi, Luke E. K. Achenie, Shanthakumar Sithambaram, Rafiqul Gani and Steven Suib, AIChE Annual Meeting, Cincinnati, November 2005. [Contributed, National]
       
    40. Morphological considerations in solvent design for Ibuprofen [in Session 10A02], Arunprakash T. Karunanithi, Luke E. K. Achenie, Shanthakumar Sithambaram, Rafiqul Gani and Steven Suib, AIChE Annual Meeting, Cincinnati, November 2005. [Contributed, National]
       
    41. Interval Analysis of ODE Systems with Parametric Uncertainty [in Session 10C14], Amrit Prasad and Luke E. K. Achenie, AIChE Annual Meeting, Cincinnati, November 2005.
       
    42. Integration of pharmacokinetic modeling in rational drug design framework. A.P.T. Karunanithi, L.E.K. Achenie. World Chemical Engineering Congress, Glasgow, July 2005.
       
    43. [Contributed, National]
       
    44. A computer- aided molecular design approach for the design of organic molecules (solvents) for crystallization. A.P.T. Karunanithi, L.E.K. Achenie, S. Sithambaram and S. Suib. ACS National Meeting, San Diego, March 2005. [Contributed, National]
       
    45. Design of crystallization solvents. A.P.T. Karunanithi, L.E.K. Achenie and R. Gani. AIChE Annual Meeting, Austin, November 2004.
       
    46. Optimal (solvent) mixture design through a decomposition based CAMD methodology, A.P.T. Karunanithi, L.E.K. Achenie and R. Gani. Foundations of Computer Aided Process Design (FOCAPD), Princeton, July 2004.
       
    47. Decomposed CAMD strategy for solvent mixture design, A.P.T.Karunanithi, L.E.K.Achenie and R.Gani. European Symposium on Computer Aided Process Engineering-14, Lisbon, Portugal, March 2004.
       
    48. A systematic strategy for the design of solvent formulations in pharmaceutical processes and products. A.P.T.Karunanithi, L.E.K.Achenie and R.Gani. AIChE Annual Meeting, San Francisco, 2003.
       
    49. Computer aided solvent and solvent mixture design through problem decomposition strategy. A.P.T.Karunanithi. Annual Meeting, Computer Aided Process Engineering Center, Technical University of Denmark, Lyngby, Denmark, 2003.
       
    50. Design and analysis of solvents in reaction media. Y.Wang, A.P.T.Karunanithi and L.E.K.Achenie. AIChE Annual Meeting, Indianapolis, 2002.
       
    51. Microchannel Reactor System for Catalytic Hydrogenation of o-nitroanisole to o-anisidine [Paper 4f], AIChE Spring 2005 [Contributed, National]
       
    52. A Recurrent Neural Network Approach for Gene Pathway Analysis [Paper 420f] -, AIChE Fall 2004 [Contributed, National]
       
    53. Direct Methanol Fuel Cell Multicriteria Optimization under Uncertainty [Paper 407f], AIChE Fall 2004 [Contributed, National]
       
    54. Software for chemical process flexibility analysis [Paper 433h], AIChE Fall 2004 [Contributed, National]
       
    55. Support Vector Clustering of Microarray Data [Paper 49d], AIChE Fall 2004, AIChE Fall 2004 [Contributed, National]
       
    56. A Computational Quantum Chemistry Approach In Drug Design [Paper 473g], AIChE Fall 2004 [Contributed, National]
       
    57. [402f] - Design of Crystallization solvents, AIChE Fall 2004 [Contributed, National]
       
    58. Optimal (Solvent) Mixture Design through a Decomposition Based CAMD methodology - European Symposium on Computer Aided Process Engineering, Lisbon, Portugal, May, 2004. (with R. Gani and A. Karunanithi) [Contributed, International]
       
    59. Artificial Neural Network Modeling of PEM Fuel Cells, [paper 7.8] - First International Conference on Fuel Cell Development and Deployment, Storrs, CT, March, 2004. [Contributed, National]
       
    60. A Systematic Strategy for the Design of Solvent Formulations in Pharmaceutical Processes and Products, [paper 9d] - AIChE National Conference, San Francisco, CA, November, 2003. (with R. Gani and A. Karunanithi) [Contributed, National]
       
    61. Multicriteria Optimization of Chemical Processes Under Uncertainty, [paper 459i] - AIChE National Conference, San Francisco, CA, November, 2003. [Contributed, National]
       
    62. A Novel Group Contribution Concept for Process Flowsheet Synthesis, Design and Modeling, [paper 431b] - AIChE National Conference, San Francisco, CA, November, 2003. (with R. Gani and L. Anterroches) [Contributed, National]
       
    63. Optimal Mixture Design Through An Extended CAMD Technique, [paper 245d] - AIChE National Conference, Indianapolis, IN, November, 2002. (with R. Gani and I. Stanescu) [Contributed, National]
       
    64. Uncertainty Analysis in the Case of Incomplete Information about Uncertain Parameters at the Operation Stage, [paper 244d] - AIChE National Conference, Indianapolis, IN, November, 2002. [Contributed, National]
       
    65. Optimization of a Chemical Process and its Control System under Uncertainty, [paper 260b] - AIChE National Conference, Indianapolis, IN, November, 2002.
       
    66. An Adaptive Strategy for Multicluster Gene Assignment, [paper 320h] - - AIChE National Conference, Indianapolis, IN, November, 2002. [Contributed, National]
       
    67. Design and Analysis of Solvents in Reaction Media, [paper 293h] - AIChE National Conference, Indianapolis, IN, November, 2002. [Contributed, National]
       
    68. Optimization of engineering systems under uncertainty - The issue of uncertainty at the operation stage, SIAM Optimization Conference, 2002, (Toronto, Canada). [Contributed, National]
       
    69. New formulation of flexibility condition and optimization problem of engineering systems under uncertainty, McMaster Optimization Conference, Edmonton, Canada, June, 2002. (with I. Datskov and G. Ostrovsky) [Contributed, International]
       
    70. Flexibility Analysis of Chemical Processes Considering Uncertainties at Both the Design and Operation Stages, [paper 273a] - AIChE National Conference, Reno, NV, November, 2001. [Contributed, National]
       
    71. Class Discovery and Class Prediction in cDNA Microarray Gene Expression Data Using an Evolutionary Neural Net, [paper 56e] - AIChE National Conference, Reno, NV, November, 2001.
    72. Interval Analysis -- An Application to Solvent Design (highlighted talk) 2002 SIAM Workshop on Validated Computing, 2002, (Toronto, Canada). [Invited, National]
       
    73. An Evolutionary Mixed - Integer Programming Approach for Microarray Gene Expression Data Analysis, [paper 58f] - AIChE National Conference, Reno, NV, November, 2001. [Contributed, National]
       
    74. A Hybrid Global Optimization Approach for Solving MINLP, [paper 291h] - AIChE National Conference, Reno, NV, November, 2001. [Contributed, National]
       
    75. Gene expression patterns at different stages of axoxymethane-induced mouse colon tumorigenesis. 93rd Annual Meeting: American Association for Cancer Research, San Francisco, USA, 2002. (K. K. Guda, H. Cui, D. Rosenberg, S. Garg and Luke E. K. Achenie). [Contributed, National]
       
    76. Optimization of engineering systems under uncertainty - The issue of uncertainty at the operation stage, SIAM Optimization Conference, 2002, (Toronto, Canada). [Contributed, National]
       
    77. Gene expression patterns at different stages of axoxymethane-induced mouse colon tumorigenesis. 93rd Annual Meeting: American Association for Cancer Research, San Francisco, USA, 2002 (with K. K. Guda, H. Cui, D. Rosenberg, S. Garg) [Contributed, National]
    78. Class prediction and class discovery in cDNA microarray gene expression data using an evolutionary neural net. Paper 56e, AIChE annual meeting, Reno, USA, 2001. [Contributed, National]
       
    79. An evolutionary mixed-integer programming approach for microarray gene expression data analysis. Paper 58f, AIChE annual meeting, Reno, USA, 2001. [Contributed, National]
       
    80. Gene expression data analysis - systems engineering approaches, Biomedical Engineering Alliance and Consortium - Bioinformatics Symposium, Hartford, USA, 2001. [Contributed]
       
    81. Genome wide functional annotation using mathematical programming, European Symposium on Computer Aided Process Engineering - 11, Kolding, Denmark, 2001. [Contributed, International]
       
    82. Mathematical programming assisted drug design, Paper 266g, AIChE annual meeting, Dallas, USA, 1999. [Contributed, National]
       
    83. "Energetics of the Elementary Steps of Hydroformylation using DFT methods" (paper 331c), AIChE National Conference, Los Angeles, CA, November, 2000 [Contributed, National]
       
    84. "Flexibility Analysis in Process Engineering, First SIAM Conference on Computational Science and Engineering" (MS45 paper 4), Washington, DC, 2000 [Contributed, National]
       
    85. "Computer-Aided Solvent Design for Extractive Fermentation" (paper 240d), AIChE National Conference, Los Angeles, CA, November, 2000 [Contributed, National]
       
    86. "Mathematical Programming Assisted Drug Design," paper 266g, AIChE Annual Meeting, Dallas, TX, November 1999. [Contributed, National]
       
    87. "Parallel Branch and Bound Global Optimizer for Product Design," paper 237f, AIChE Annual Meeting, Dallas, TX, November 1999. [Contributed, National]
       
    88. "Efficient Global Optimization Algorithm for Molecular Design," paper 218a, AIChE Annual Meeting, Dallas, TX, November 1999. [Contributed, National]
       
    89. "Parallel Issues in Global Optimization," paper 213e, AIChE Annual Meeting, Dallas, TX, November 1999. [Contributed, National]
       
    90. "A New Method for Calculating the Process Flexibility Function," paper 209r, AIChE Annual Meeting, Dallas, TX, November 1999. [Contributed, National]
       
    91. "Pollution Prevention Via Solvent Substitution: Designing Optimal Solvent Blends Under Environmental Considerations," paper 116a, AIChE Annual Meeting, Dallas, TX, November 1999. [Contributed, National]
       
    92. "Global Optimization under Parametric Uncertainty," paper 48f, AIChE Annual Meeting, Dallas, TX, November 1999. [Contributed, National]
       
    93. "A New Approach to Flexibility Analysis," PRESS '99, Budapest, Hungary, June 1999. [Contributed, International]
       
    94. "Deterministic Methods of Flexibility Analysis," ESCAPE-9, Budapest, Hungary, June 1999. [Contributed, International]
       
    95. "Interval Analysis Methods for Molecular Design Under Uncertainty," SIAM Annual Meeting, Atlanta, GA, June 1999. [Contributed, National]
       
    96. "Optimization of Chemical Processes Under Uncertainty," SIAM Annual Meeting, Atlanta, GA, June 1999. [Contributed, National]
       
    97. "Mathematical Programming Models for Product Design," SIAM Annual Meeting, Atlanta, GA, June 1999. [Contributed, National]
       
    98. "Computer Aided Product Design," SIAM Annual Meeting, Atlanta, GA, May 1999. [Contributed, National]
       
    99. "Interval Analysis Methods for Molecular Design Under Uncertainty," SIAM Optimization Meeting, Atlanta, GA, May 1999. [Contributed, National]
       
    100. "Optimization of Chemical Processes Under Uncertainty," SIAM Optimization Meeting, Atlanta, GA, May 1999. [Contributed, National]
       
    101. "Current Trends in Computer Aided Molecular Design," AIChE Spring Meeting, Houston, TX, March 1999."Computer Aided Solvent Design for Lithographic Blanket Wash System," AIChE Annual Meeting, Miami, FL, November 1998. [Contributed, National]
       
    102. "Flexibility Analysis of Chemical Processes," AIChE Annual Meeting, Miami, FL, November 1998. [Contributed, National]
       
    103. "Product Design and Global Optimization in Parallel Computing Environment," AIChE Annual Meeting, Miami, FL, November 1998. [Contributed, National]
       
    104. "Parallel Computing Issues in Product Design Under Property Prediction Uncertainties," AIChE Annual Meeting, Miami, FL, November 1998. [Contributed, National]
       
    105. "A Parallel Interval Newton Method for Addressing Sensitivity Issues in Computer Aided Product Design," AIChE National Meeting, Los Angeles, CA, November 1997. [Contributed, National]
       
    106. "A Parallel Global Optimization Strategy for Computer Aided Product Design," AIChE National Meeting, Los Angeles, CA, November 1997. [Contributed, National]
       
    107. "Incorporating Environmental Issues into Computer Aided Molecular Design," AIChE Spring Meeting, Houston, Texas, March 1997. [Contributed, National]
       
    108. "Incorporating Environmental Issues into Refrigerant Design," AIChE Spring Meeting, Houston, Texas, March 1997. [Contributed, National]
       
    109. " Novel MINLP Model for Computer Aided Molecular Design," AIChE National Meeting, Chicago, IL, November 1996. [Contributed, National]
       
    110. "Training Issues in Supervised Neural Networks," 5-th World Congress of Chemical Engineering, San Diego, CA, July 1996. [Contributed, National]
       
    111. "A Structural Optimization Approach to Computer Aided Molecular Design," 5-th World Congress of Chemical Engineering, San Diego, CA, July 1996. (Contributed, National]
       
    112. "Challenges in the Solution of a Mixed Integer Nonlinear Program Based Solvent Design Problem" (Fifth SIAM Conference on Optimization in Victoria, British Columbia, Canada on May 20-22, 1996. [Contributed, International]
       
    113. "Quasi-Newton & Parallel Processing Issues in Supervised Neural Networks," INFORMS Spring Meeting, Washington, D.C., May 1996. [Invited, National]
       
    114. "Incorporating Environmental Constraints in the Design of Refrigerant and Refrigerant Mixtures," AIChE Spring Conference, New Orleans, LA, February 1996. [Contributed, National]
       
    115. "A Mixed Integer Nonlinear Programming Model for the Design of Refrigerant Mixtures," AIChE Conference, Miami Florida, November 1995. [Contributed, National]
       
    116. "A Multi-Domain Pseudospectral Simulation of Reaction Injection Molding," AIChE Conference, Miami Florida, November 1995. [Contributed, National]
       
    117. "Mathematical Programming Issues in Solvent Selection for Refrigeration Systems," IFORS Conference, St. Louis, Missouri, October 1995. [Contributed, National]
       
    118. "Parallel Implementation of a Multi-Domain Pseudospectral Simulation of Reaction Injection Molding," SMC Simulation MultiConference, Phoenix, Arizona, April 1995. [Contributed, National]
       
    119. "A Neural Network Based Physical Property Estimation Method," SMC Simulation MultiConference, Phoenix, Arizona, April 1995. [Contributed, National]
       
    120. "A Mathematical Programming Based Approach to Refrigerant Design," SMC Simulation MultiConference, Phoenix, Arizona, April 1995. [Contributed, National]
       
    121. "Estimation of Aquifer Hydraulic Conductivities: A Neural Network Approach," Proceedings for the IAHS Symposium - Models for Assessing and Monitoring Ground Water Quality, Boulder, CO July 1995. [Contributed, National]
       
    122. "On the Use of Neural Networks for Reactor Synthesis," AIChE, Atlanta, GA, April 1994. [Contributed, National]
       
    123. "On the Parallel Solution of a Reaction Injection Molding System Using Collocation and LINDA," AIChE, Atlanta, GA, April 1994. [Contributed, National]
       
    124. "Computational Analysis of Feedforward Neural Networks and an Application to Liquid Level Control," NOBCChE, Atlantic City, NJ, April 1994. [Contributed, National]
       
    125. "An Intelligent System for Automated Pavement Distress Evaluation," (Conference on Advanced Technologies in Transportation and Traffic Management, Singapore, May 1994). [Contributed, National]
       
    126. "Processing Techniques for Evaluating Images Recorded by the Connecticut Photolog System," (Transportation Research Board Conference, Washington, D.C. December 1993). [Contributed, National]
       
    127. "A Quasi Newton Based Approach to the Training of the MultiLayer Perceptron", Artificial Neural Networks in Engineering Conference, St. Louis, MO., November 1993. [Contributed, National]
       
    128. "2-D Collocation on Finite Element Solution of a Reaction Injection Molding System," AIChE National Meeting, St. Louis, MO, November 1993. [Contributed, National]
       
    129. "Enhanced Training of the Backpropagation Neural Network and Applications to Process Control," 43rd Canadian Chemical Engineering Conference, Ottawa, Canada, October 1993. [Contributed, National]
       
    130. "Enhanced Training of the Multilayer Perceptron and Applications to Chemical Process Control," SIAM Annual Meeting, Philadelphia, PA, July 1993. [Contributed, National]
       
    131. "A Simultaneous Approach to the Solution and Optimization of a Zinc Bromine Battery Flow Cell Model," Achenie, L. E. K. and Fenton, J. 183rd Meeting of the Electrochemical Society, Honolulu, Hawaii, May 1993. [Contributed, National]
       
    132. "On the Solution and Optimization of a Reaction Injection Molding System," NOBCChE 20th Annual Meeting, Indianapolis, IN, April 1993. [Contributed, National]
       
    133. "2-D Collocation on Finite Element Solution of a Reaction Injection Molding System," AIChE Spring Meeting, Houston, TX, March 1993. [Contributed, National]
       
    134. "Convergence Analysis and Structure Determination of the Backpropagation Neural Network," AIChE Annual Meeting, Miami Beach, FL, November 1992. [Contributed, National]
       
    135. "Accelerated Convergence of the Backpropagation Neural Network," OBCChE 19th Annual Meeting, New Orleans, LA, April 1992. [Contributed, National]
       
    136. "Parallel NCUBE Implementation of a Layered, Feed-forward Neural Network," AICHE meeting, Los Angeles, CA, Nov. 1991. [Contributed, National]
       
    137. Achenie, L. E. and Biegler, L. T., "Developing Targets for the Performance Index of a Chemical Reactor Network," (paper 90f). AICHE meeting, New York, NY, November 1987. [Contributed National]
       
    138. Achenie, L. E. and Biegler, L. T., "An Algorithmic Method for Reactor Network Synthesis," (paper 38c). AICHE meeting, Miami, Florida, November 1986. [Contributed National]
       

    139.