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Chemical Engineering

Publications - Molecular Products Design

 

A. Refereed Journal Publications

  1. Maurya, M.R., Bornheimer, S.J., Venkatasubramanian, V., and Subramaniam, S., “Mixed-integer nonlinear optimization approach to coarse-graining biochemical networks”, IET Syst. Biol., 2009, 3(1), pp. 24–39.
  2. A. Goyal, P. Patkar, G. Medvedev, V. Venkatasubramanian, J. M. Caruthers, J. Cao, and S. P. Midkiff, “Population balance kinetic model for interaction of 2-bisbenzothiazole-2-2’disulfide (MBTS) with Sulfur”, Rubber Chemistry and Technology, 81(4), 2008, p. 671-708.
  3. Shuo-Huan Hsu, Balachandra Krishnamurthy, Prathima Rao, Chunhua Zhao, Suresh Jagannathan and Venkat Venkatasubramanian, “A Domain-specific Compiler Theory Based Framework for Automated Reaction Network Generation”, Comp. Chem. Eng., 32 (2008) 2455–2470.
  4. Bhan, A., Hsu, S-H., Blau, G., Venkatasubramanian, V., Caruthers, J.M. and Delgass, W.N., “Microkinetic Modeling of Propane Aromatization over HZSM-5”, Journal of Catalysis, 235 (2005) 35-51.
  5. Katare, S., Venkatasubramanian, V., Caruthers, J.M. and Delgass, W.N., “A Hybrid Genetic Algorithm for Efficient Parameter Estimation of Large Kinetic Models”, Comp and Chem Eng.., 28(12), 2004, pp. 2569-2581.
  6. Katare, S., Caruthers, J.M., Delgass, W.N., and Venkatasubramanian, V., “An Intelligent System for Reaction Kinetic Modeling and Catalyst Design”, Ind. Eng. Chem. Res. and Dev., 43(14), 2004, pp. 3484-3512.
  7. Ghosh, P., Katare, S.R., Patkar, P.R., Caruthers, J.M., Venkatasubramanian, V., and Walker, K.A., “Sulfur Vulcanization of Natural Rubber for Benzothiazole Accelerated Formulations: From Reaction Mechanisms to a Rational Kinetic Model”, Rubber Chemistry and Technology, 76 (3), July-August 2003, pp. 592-693.
  8. Caruthers, J.M., Lauterbach, J.A., Thomson, K.T., Venkatasubramanian, V., Snively, C.M., Bhan, A., Katare, S. and Oskarsdottir, G., “Catalyst Design: Knowledge Extraction from High Throughput Experimentation”, In “Understanding Catalysis from a Fundamental Perspective: Past, Present, and Future”, Bell, A., Che, M. and Delgass, W.N., Eds., Invited Paper for the 40th Anniversary Issue of the Journal of Catalysis, vol 216/1-2, 2003, pp. 98-109.
  9. A. Sundaram, P. Ghosh, J. M. Caruthers, and V. Venkatasubramanian, "Design of Fuel Additives Using Neural Networks and Evolutionary Algorithms", AIChE J, 47(6), 1387-1406, 2001.
  10. A. Sundaram and V. Venkatasubramanian, "Parametric Sensitivity and Search-Space Characterization of Genetic Algorithsm for Computer-Aided Polymer Design", J. Chem. Inf. Comput. Sci., 38(6), 1177-1191, 1998. Download
  11. V. Venkatasubramanian, K. Chan, and J. M. Caruthers, "Evolutionary Design of Molecules with Desired Properties Using the Genetic Algorithm", J. Chem. Info. and Comp. Sci., 35(2), 188-195, 1995. Downloads
  12. V. Venkatasubramanian, K. Chan, and J. M. Caruthers, "Computer Aided Molecular Design Using Genetic Algorithms", Computers and Chemical Engineering, 18 (9), 833-844, 1994. Download
  13. I. P. Androulakis and V. Venkatasubramanian, "A Genetic Algorithm Framework for Process Design and Optimization", Comput Chem Eng, 15(4), 217-228, 1991. 
  14. V. Venkatasubramanian and C-F.Chen, "A Blackboard Approach to Plastics Design", International Journal on Artificial Intelligence in Engineering, 1(2), 117-122, 1986.
B. Refereed Publications in Conference Proceedings

  1. P. Ghosh, V. Venkatasubramanian, J. M. Caruthers, and A. Sundaram, "Integrated Product Engineering - A Hybrid Evolutionary Framework", Comput Chem Eng, 24(2-7), 685-691, 2000. Download
  2. P. Ghosh, P. Patkar, S. Katare, V. Venkatasubramanian, and J.M. Caruthers, "A Kinetic Model for Accelerated Sulfur Vulcanization of Natural Rubber", In the Proceedings of American Chemical Society Publications (Rubber Division), Paper No. 7.
  3. A. Sundaram, P. Ghosh, and V. Venkatasubramanian, "GENESYS:  A Framework for Designer Guided Evolutionary Search for High Performance Products, Computers and Chemical Engineering, 23, S739-S742, 1999. Download
  4. A. Sundaram, P. Ghosh, V. Venkatasubramanian,  and J. M. Caruthers, "Design of Fuel-Additives Using Hybrid Neural Nets and Genetic Algorithms", In the Proceedings of the international conference on Foundations of Computer Aided Process Design, Snowmass, Colorado, July 1999. Download
  5. V. Venkatasubramanian, K. Chan, and  J. M. Caruthers, "On the Performance of Genetic Search for Large Scale Molecular Design", In the Proceedings of the fifth international symposium on Process Systems Engineering, (PSE 94), Kyongu, S. Korea, June 94.
  6. V. Venkatasubramanian, K. Chan, A. Sundaram, and J. M. Caruthers, "Evolutionary Molecular Design", In the Proceedings of the international conference on Foundations of Computer Aided Process Design (FOCAPOD 94), Snowmass, Colorado, July 94.
C. Refereed Papers as Book Chapters

  1. V. Venkatasubramanian and A. Sundaram, "Genetic Algorithms: Introduction and Applications", In the Encyclopedia of Computational Chemistry, John Wiley and Sons, 1997. (Invited book chapter). Book-Chapter
  2. V. Venkatasubramanian, A. Sundaram, K. Chan and J. M. Caruthers, "Computer-Aided Molecular Design Using Neural Networks and Genetic Algorithms", In Genetic Algorithms in Molecular Modeling, J. Dellivers, Ed (1996) Book-Chapter
  3. V. Venkatasubramanian, K. Chan and J. M. Caruthers, "A Genetic Algorithm Approach for Computer-Aided Molecular Design", in ACS Symposium Series Volume on Applications of Computer-Aided Molecular Design, C. Reynolds, K. Holloway, and H. Cox (Eds.), The American Chemical society, 589, 396-414, 1995. (Invited book chapter).

D. Papers presented at conferences and meetings

 

  1. P. Ghosh, J.M. Caruthers and V. Venkatasubramanian, "Constitutive Model for Sulfur-Vulcanized Elastomers Under Simultaneous Deformation and Chemical Aging", In AIChE Annual Meeting, Dallas, TX, Nov 1999.
  2. A. Sundaram and V. Venkatasubramanian, "GENESYS: An Evolutionary Environment for Interactive Product Design", In AIChE Annual Meeting, Miami, FL, Nov. 1998.
  3. V. Venkatasubramanian, "AI Approaches to Computer Aided Molecular Design", In the American Physical Society Annual Meeting, San Diego, CA, Mar 1995.
  4. A. Sundaram, V. Venkatasubramanian and J.M. Caruthers, "Interactive Molecular Design", In AIChE Annual Meeting, San Francisco, CA, Nov. 1994.
  5. V. Venkatasubramanian, K. Chan and J.M. Caruthers, "Designing Molecules with Desired Properties Using Genetic Algorithms", In AIChE Annual Meeting, St.Louis, MO, Nov. 1993.
  6. K. Chan, V. Venkatasubramanian and J. M. Caruthers, "Designing Engineering Polymers: A Case Study in Product Design", In AIChE National Meeting, Miami, FL, Nov. 1992.
  7. K. Chan, V. Venkatasubramanian and J. M. Caruthers, "A Neural-Network Framework for Composite Products Design", In AIChE Spring National Meeting, Orlando, FL, Apr.1990.
  8. V. Venkatasubramanian, Y. Lee and C.G. Gryte, "Design of Polymer Composites: A Blackboard Approach", In AIChE National Meeting, New York, NY, Nov. 1987.
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