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Publications

Journal Articles (partial list)

  1. Shih-Han Wang, Hemanth Somarajan Pillai, Siwen Wang, Luke E. K. Achenie, and Hongliang Xin (2021), “Infusing Theory into Deep Learning for Interpretable Reactivity Prediction”, Nat. Commun., 12 (1), 5288.
  2. Omidvar, Noushin; Pillai, Hemanth; Wang, Shih-Han; Mou, Tianyou; Wang, Siwen; Achenie, Luke; Xin, Hongliang (2021). “Interpretable Machine Learning of Chemical Bonding at Solid Surfaces”, J Phys Chem Lett., 12(46):11476-11487. doi: 10.1021/acs.jpclett.1c03291. Epub 2021 Nov 18.
  3.  Ezealigo, U. S., Ezealigo, B. N., Achenie, L. E. K., Dim, E. N., Plaza, M. G., and Onwualu, A. P.,  (2021) “Preliminary characterizations and valorisation of Ficus benjamina fruits for biofuel application”, Biomass Conversion and Biorefinery, https://doi.org/10.1007/s13399-021-02230-1
  4.  Ezealigo, U.S.; Ezealigo, B.N.; Kemausuor, F.; Achenie, L.E.K.  (2021); Onwualu, A.P. Biomass Valorization to Bioenergy: Assessment of Biomass Residues: Availability and Bioenergy Potential in Nigeria. Sustainability, 13, 13806. https://doi.org/10.3390/su132413806
  5. Li, Z., Achenie, L. E. K., Xin, H. (2020). An Adaptive Machine Learning Strategy for Accelerating Discovery of Perovskite Electrocatalysts, ACS Catal. 10, 7, 4377-4384.
  6. Maryam Moarefian, Rafael V. Davalos, Danesh K. Tafti, Luke E. Achenie and Caroline N. Jones , 2020, Modeling iontophoretic drug delivery in a microfluidic device, Lab Chip, 20, 3310
  7. Achenie, Luke E. K.; Scarpa, Angela; Factor, Reina S.; Wang, Tao; Robins, Diana L.; McCrickard, Scott D., A Machine Learning Strategy for Autism Screening in Toddlers, Journal of Developmental & Behavioral Pediatrics: June 2019 - Volume 40 - Issue 5 - p 369–376, doi: 10.1097/DBP.0000000000000668
  8. Juliana Erika Cristina Cardona Jaramillo, Marcela Piedad Carrillo Bautista, Oscar Alberto Alvarez Solano, Luke E. K. Achenie and Andrés Fernando González Barrios, 2019, “Impact of the Mode of Extraction on the Lipidomic Profile of Oils Obtained from Selected Amazonian Fruits”, Biomolecules, 9, 329; doi:10.3390/biom9080329
  9. Z. Li, N. Omidvar, W. S. Chin, E. Robb, A. Morris, L. Achenie, and H. Xin, 2018, “Machine Learning Energy Gaps of Porphyrins with Molecular Graph Representations”. en. In: J. Phys. Chem. A 122.18, pp. 4571–4578., doi: https://pubs.acs.org/doi/10.1021/acs.jpca.8b02842.
  10. Yang, Q. and Achenie, L.E.K., 2018, " Exploration of gas molecules transport in composite poly(4-methyl-2-pentyne) and carbon nanotubes employing molecular dynamics simulation", Computational Materials Science, 143,  87-94, DOI: 10.1016/j.commatsci.2017.10.050
  11. Jamelle M. Simmons, Yong Woo Lee, Luke E. K. Achenie, 2018, “A passive diffusion model of fluorescein derivatives in an in vitro human brain microvascular endothelial cell (HBMEC) monolayer”, Journal of Measurements in Engineering. September 2018, volume 6(3), DOI https://doi.org/10.21595/jme.2018.20186
  12. Rachael McCarthy, Luke E.K. Achenie, 2017, “Agent-Based Modeling – Proof of Concept Application to Membrane Separation and Hydrogen Storage in a MOF”, Comp. Chem Eng., 107, 151-157 (https://doi.org/10.1016/j.compchemeng.2017.03.004)
  13. Achenie, L.E.K.,  Sharifi, Y.,  Lee, D.G., 2017,  “Development of a Multiscale Strategy and Application to Chemical Vapor Deposition”, Computer Aided Chemical Engineering, vol. 39, 95–123. DOI: 10.1016/B978-0-444-63683-6.00004-6
  14. Luke E.K. Achenie, Naresh Pavurala, 2017, “Modeling of Drug Release from a Polymer Matrix System”, Drug Designing & Development (NAPDD), 2(3),  ISSN: 2575-8942
  15. Li, Zheng, Siwen, W., Chin, W.S., Achenie, L.E.K. and Xin, H., 2017, “High-throughput screening of bimetallic catalysts enabled by machine learning”, J. Mater. Chem. A, 5, 24131- 24138, DOI: 10.1039/c7ta01812f
  16. Sonia M. Aguilera-Seguraa, Vanessa Núnez Vélez, Luke E. K. Achenie, Oscar Álvarez Solanoa, Rodrigo Torres, Andrés Fernando González Barrios, 2016, “Peptides design based on transmembrane Escherichia coli’s OmpA protein through molecular dynamics simulations in water–dodecane interfaces”, Journal of Molecular Graphics and Modelling, 68, 216–223.
  17. 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
  18. Ma, Xianfeng; Li, Zheng; Achenie, Luke; Xin, Hongliang, 2015, "Machine-Learning-Augmented Chemisorption Model for CO2 Electroreduction Catalyst Screening", J. Phys. Chem. Lett., 6, 3528−3533.
  19. Jordan Crow, Luke E.K. Achenie, Chang Lu, Sai Ma, Despina Nelie Loufakis, Zhenning Cao, Yiwen Chang, 2015, “Optimal Design of Microfluidic Platforms for Diffusion-Based PCR for ‘One-Pot’ Analysis of Cells”,  Computer Aided Chemical Engineering, 37, 1199–1204.
  20. Christopher R. Christie, C.R., Achenie, L.E.K, Ogunnaike, B.A., “A control engineering model of calcium regulation,” J Clin Endocrinol Metab.,  99(8), 2844-53, 2014, . DOI: 10.1210/jc.2013-3451. (also featured in the highlights http://press.endocrine.org/doi/pdf/10.1210/me.2014-v28i6-976)
  21. Pavurala, N. and Achenie, L.E.K., “Identifying polymer structures for oral drug delivery – A molecular design approach,” Comp. & Chem. Eng.,71, 734–744, 2014.      doi: 10.1016/j.compchemeng.2014.07.015
  22. Sharifi, Y.  and Achenie, L.E.K., “DFT Study of Mechanism and Kinetics of Hydrogenolysis of Toluene”, J. Chem. Proc. Eng.,  1, 104, 2014.
  23. Ma, Sai; Loufakis, Despina; Cao, Zhenning; Chang, Yiwen; Achenie, Luke; Lu, Chang, “Diffusion-based microfluidic PCR for “one-pot” analysis of cells", Lab Chip Royal Society of Chemistry, 14, 2869-3111, 2014, ISSN 1473-0197
  24. 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
  25. Lerkkasemsan, N. and Achenie, L.E.K. “Pyrolysis of Biomass - Fuzzy Modeling”, Renewable Energy, 66, 747-758, 2014.
  26. 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
  27. 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
  28. Pavurala, N. and Achenie, L.E.K., “A mechanistic approach for modeling oral drug delivery,” Comp. & Chem. Eng., 57,196-206, 2013.
  29. Lerkkasemsan, N. and Achenie, L.E.K., "Life Cycle Costs and Life Cycle Assessment for the Harvesting, Conversion, and the Use of Switchgrass to Produce Electricity," International Journal of Chemical Engineering, 2013, ??, 2013. DOI:10.1155/2013/492058.
  30. 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.
  31. Christopher R. Christie, Luke E.K. Achenie, Babatunde A. Ogunnaike , 2012, “A Control Engineering Perspective of Calcium Homeostasis”,  Computer Aided Chemical Engineering,  31, 1722–1726.
  32. 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.
  33. 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.
  34. 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.
  35. Dada, E. and Achenie, L. 2012, “Production of Cylohexane from Hydrogenation of Benzene using Microreactor Technology”,  Computer Aided Chemical Engineering,  31, 240–244. 
  36. 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.
  37. Zhenxing Wang, Luke E.K. Achenie, Sheima Jativ Khativa and S. Ted Oyama, “Simulation study of carbon dioxide and methane gas permeation in hybrid organic-inorganic membrane,” Journal of Membrane Science.,  387/388, 30–39, 2012.
  38. Pavurala, N. and Achenie, L., 2012, “An advanced model for controlled oral drug delivery”,  Computer Aided Chemical Engineering,  31, 2012,1150–1154.
  39. 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.
  40. 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.
  41. 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.
  42. 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.
  43. 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.
  44. 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.
  45. 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.
  46. 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.
  47. 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.
  48. 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.
  49. Sharifi, Y. and Achenie, L.E.K. “Effect of substrate geometry on deposition rate in CVD,” Journal of Crystal Growth,  304, 520–525, 2007.
  50. Yilmaz, O., Achenie, L.E.K. and Srivastava, R., “Systematic Tuning of Parameters in Support Vector Clustering,”  Mathematical Biosciences, 205, 252–270, 2007.
  51. Gupta, R. and Achenie, L.E.K., “A Network Model for Gene Regulation,” Comp. Chem Eng. 31(8), 950-961, 2007.
  52. 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.
  53. 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.
  54. 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.
  55. 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.
  56. 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.
  57. 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.
  58. 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.
  59. 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.
  60. 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.
  61. 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.
  62. 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.
  63. 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.
  64. S. Ou and L.E.K. Achenie, “A hybrid neural network model for PEM fuel cells”, Journal of Power Sources,140, 319-330, 2005.
  65. 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., “Expression Profile of Osteoprogenitor Lineage Cells at Defined Stages of Differentiation,” J. Biol. Chem., 280: 24618 – 24626, 2005.
  66. 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.  
  67. 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.
  68. 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., “Microarray validation of osteoblast lineage differentiation by GFP marker genes,” J. Bone and Minearl Research., 19: S268-S268, 2004.
  69. 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
  70. 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.
  71. 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.
  72. Achenie, L.E.K., “Forward: Special  Issue of Advances in Environmental Research,” Advances in Environmental Research, 8(2), 149, 2004.
  73. Karunanithi, A. T., Achenie, L.E.K. and Gani, R., 2004, “Optimal (Solvent) Mixture Design through a Decomposition Based CAMD methodology”, Computer Aided Chemical Engineering, 18, Pages 217–222
  74. 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.
  75. 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.
  76. 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.
  77. Sinha, M., Achenie, L. E. K. and Gani, R., “Blanket Wash Solvent Blend Design Using Interval Analysis,” I&EC Research, 42, 516-527, 2003.
  78. 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. 
  79. Achenie, L. E. K., and Sinha, M., “Interval Global Optimization in Solvent Design,” Reliable Computing, 9, 317-338, 2003.
  80. 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.
  81. Wang, Y. and Achenie, L.E.K., “A Hybrid Global Optimization Approach for Solvent Design,” Comp. & Chem Eng., 26(10), 1415 – 1425, 2002.
  82. Wang, Y. and Achenie, L.E.K., “Computer Aided Solvent Design – Ethanol Extractive Fermentation Case Study,” Fluid Phase Equilibria. 201, 1-18, 2002.
  83. 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.
  84. 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.
  85. Wang, Y.P. and Achenie, L.E.K., 2002,  “A Hybrid Global Optimization Approach for Solving MINLP Models  in Product Design,” Computer Aided Chemical Engineering, 10, 997–1002.
  86. Garg, S. and Achenie, L.E.K., 2002, “Systems engineering approaches for gene expression profiling,” Computer Aided Chemical Engineering, 10, 883–888.
  87. Garg, S. and Achenie, L.E.K., “Mathematical Programming Assisted Drug Design for Non-classical Antifolates,” Biotechnology Progress, 17, 412-418, 2001.
  88. 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.
  89. 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.
  90. Garg, S. and Achenie, L.E.K., 2001, "Genome Wide Functional Annotation using Mathematical Programming," Computer Aided Chemical Engineering, 9, 1133–1138.
  91. 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.
  92. 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.
  93. 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.
  94. 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.
  95. Ostrovsky, G. M., Achenie, L. E. K. and Y. Wang, “Deterministic Methods of Flexibility Analysis,” Comp. & Chem. Eng. Suppl., 23, 387-390, 1999.
  96. Zhao, M.,  Garrick, N. W. and Achenie, L. E. K.  “Data Reconciliation-Based Traffic Count Analysis System,” Transportation Research Record, 1625, 12-17, 1998.
  97. 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.
  98. 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.
  99. 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.
  100. 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.
  101. Duvedi, A. P. and Achenie, L. E. K.  “Designing Environmentally Safe Refrigerants Using Mathematical Programming,” Chemical Engineering Science, 51, 15, 3727-3739, 1996.
  102. 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.
  103. 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.
  104. 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.
  105. 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.
  106. 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.
  107. 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.
  108. 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.
  109. 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.
  110. 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.
  111. 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.
  112. Cooper, D. J. and Achenie, L. E. K., “Research on Neural Networks, Optimization and   Process Control,” Chem. Engr. Education, 26, 4, 176, 1992.
  113. Achenie, L. E. and Biegler, L. T., “A Superstructure Based Approach to Chemical Reactor Network Synthesis,” Comp. Chem Eng. 14 23-40, 1990.
  114. 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.
  115. Achenie, L. E. and Biegler, L. T., “Algorithmic Synthesis of Chemical Reactor Networks using Mathematical programming,” Ind. Eng. Chem. Fundam. 25, 621-627, 1986.
  116. Proceedings (peer reviewed, partial list)
  117. Achenie, L.E.K., “Using Agent-Based modeling for coupling molecular level calculations with continuum scale modeling”, Proceedings of the 4th  International Conference on Sustainable Chemical Product and Process Engineering (SCPPE 2016), Nanjing, China, May 31 ─ June 3, 2016.
  118. Christie, C.R.,  Achenie, L.E.K.,  Ogunnaike, B.A., A control engineering model of calcium regulation, IFAC Proceedings Volumes (IFAC-PapersOnline), vol. 19, pp. 790–795, 2014.
  119. (322e) Diffusion-Based Microfluidic PCR for “One-Pot” Analysis of Cells, Sai MaDespina Nelie LoufakisZhenning CaoYiwen ChangLuke AchenieChang Lu, 2014 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1086-1)
  120. 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, Technical Proceedings of the 2013 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2013, vol. 2, pp. 607–610, 2013.
  121. 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. DOI: 10.13140/2.1.4377.0880
  122. 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.
  123. 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.
  124. 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.
  125. 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
  126. 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.
  127. 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.
  128. 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.
  129. 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.
  130. 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.
  131. 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.
  132. 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.
  133. 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.
  134. 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.
  135. 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.
  136. 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).
  137. 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).
  138. 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).
  139. 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.
  140. 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.
  141. 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.
  142. 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.
  143. 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.
  144. 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.
  145. Ostrovsky, G. M., Achenie, L. E. K., and Gomelsky, V., “A New Approach to Flexibility Analysis,” PRES'99, 2nd Conference on Process Integration, Modeling and Optimization for Energy Saving and Polution Reduction,  Bhudapest, Hungary, May  1999.
  146. 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.
  147. Zhao, M., Garrick, N.  and Achenie, L. E. K.  “Data Reconciliation Based Traffic Count Analysis System,” Transportation Research Board,  Washington D.C., January  1998.
  148. 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.
  149. 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.
  150. Zhao, M., Garrick, N.  and Achenie, L. E. K.  “Data Reconciliation Based Traffic Count Analysis System,” Transportation Research Board,  Washington D.C., January  1998. https://doi.org/10.3141/1625-02
  151. 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.
  152. 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.
  153. Garg, S. and Achenie, “An Adaptive Strategy for Multicluster Gene Assignment,” Bioinformatics, Proteomics, and Functional Genomics Conference Proceedings, 142-147, Indianapolis, IN, November, 2002.
  154. 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, 2000.

Book Chapters

  1. Luke E.K. Achenie, Naresh Pavurala (2018), “On the Modelling of Oral Drug Delivery”, In Quantitative Systems Pharmacology. Quantitative Systems Pharmacology, Models and Model-Based Systems with Applications, Volume 42, Editors: Davide Manca, Hardcover ISBN: 9780444639646, Imprint: Elsevier, Published Date: 1st July 2018. (https://doi.org/10.1016/B978-0-444-63964-6.00010-6)
  2. Luke E. K. Achenie, Angelo Lucia, Urmila Diwekar,, Guennadi Ostrovsky, (2012)) Ullmann's Encyclopedia of Industrial Chemistry -- Process Systems Engineering, 3. Mathematical Programming (Optimization), DOI: 10.1002/14356007.o22_o07
  3. Hacarlioglu, P., Achenie, L.E.K., and Oyama, S.T., (2011) “Ab Initio Studies of Silica-Based Membranes: Activation Energy of Permeation,” (Chapter 4 in “Membrane Science and Technology”, vol. 14,  , Elsevier Science Publishers. 
  4. Karunanithi, A. T., Gani, R., Achenie, L.E.K., (2009) Biodiesel Process Design through a Computer-aided Molecular Design Approach, In book: Design for Energy and the Environment, pp.979-986, Editors: M. El-Hawalgi and A. Linninger, DOI: 10.1201/9781439809136-c93
  5. 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). 
  6. 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]
  7. 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).
  8. 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).
  9. 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).
  10. 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).
  11. 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).
  12. 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).
  13. 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).
  14. 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).
  15. 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).

Books

  1. 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).
  2. Computer Aided Molecular Design: Theory and Practice, Editors: Luke E. K. Achenie, Rafiqul Gani, & V. Venkatasubramanian, Elsevier Publishers, 2002, ISBN 0-444-51283-7).