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B Biographies of the Organizing Committee Members Richard C. Alkire (Co-Chair) is the Charles and Dorothy Prizer Professor of Chemical Engineering at the University of Illinois at Urbana-Champaign. He has recently served as vice chancellor for research and dean of the Graduate Col- lege. His current research is in the area of electrochemical deposition and dissolu- tion of metals, including corrosion, and the strategic use of high-performance computing in collaborative problem solving. He received his B.S. from Lafayette College and Ph.D. from University of California at Berkeley. He is a member of the National Academy of Engineering. Mark A. Ratner (Co-Chair) is professor of chemistry, Department of Chem- istry, Northwestern University, Evanston, Illinois. He obtained his B.A. from Harvard University (1964) and his Ph.D. (chemistry) from Northwestern Univer- sity (1969~. His research interests are in nonlinear optical response properties of molecules, electron transfer and molecular electronics, dynamics of polymer elec- trolyte transport, self-consistent field models for coupled vibration reaction dy- namics, mean-field models for extended systems, and tribology and glassy dy- namics. He has some 312 professional publications. Ratner is a fellow of the American Physical Society and the American Association for the Advancement of Science and has received numerous teaching awards from Northwestern Uni- versity. He is a member of the National Academy of Sciences. Peter T. Cummings is the John R. Hall Professor of Chemical Engineering at Vanderbilt University. In addition, he is on the staff of the Chemical Sciences Division at Oak Ridge National Laboratory, where he also holds the position of director of the Nanomaterials Theory Institute of the Center for Nanophase Mate- rials Science. He received his bachelor's degree in mathematics from the Univer- sity of Newcastle (New South Wales, Australia) and his Ph.D. from the Univer- 64

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APPENDIX B 65 sity of Melbourne (Victoria, Australia) in applied mathematics. His research ex- pertise is in statistical thermodynamics, molecular modeling, computational sci- ence, and chemical process design. Ignacio E. Grossmann (Steering Committee Liason) is Rudolph H. and Flo- rence Dean Professor and head of the chemical engineering department at Carnegie Mellon University. He received his B.Sc. (1974) from Universidad Iberoamericana, Mexico, and his M.Sc. (1975) and Ph.D. (1977) degrees from Imperial College, London. He joined Carnegie Mellon in 1979 and has focused his research on the synthesis of integrated flow sheets, batch processes, and mixed-integer optimization. The goals of his work are to develop novel math- ematical programming models and techniques in process systems engineering. He was elected to the Mexican Academy of Engineering in 1999, and he is a member of the National Academy of Engineering. Judith C. Hempel was assistant chair of the Department of Biomedical En- gineering at the University of Texas, Austin, 2002-2003. Previously, she was associate director of the Molecular Design Institute at the University of Califor- nia, San Francisco, and was a member of the scientific staff of the computational chemistry software company Biosym/MSI and a founding member of the com- puter-aided drug design group at SmithKline. She received her B.S., M.A., and Ph.D. degrees in chemistry at the University of Texas, Austin. She served as a member of the Computer Science and Telecommunications Board from 1996 to 2001. Her research expertise is in theoretical and computational chemistry. Kendall N. Houk is professor of chemistry in the Department of Chemistry and Biochemistry at the University of California, Los Angeles. He obtained his A.B. in 1964 and his Ph.D. in 1968, both from Harvard University. His research involves the use of computational methods for the solution of chemical and bio- logical problems, and he continues experimental research as well. He has some 560 professional publications. He served on the Board on Chemical Sciences and Technology from 1991 to 1994. From 1988 to 1991 Houk was director of the NSF Chemistry Division. He was elected to the American Academy of Arts and Sciences in 2002. Sangtae Kim (Board on Chemical Sciences and Technology liaison) is vice president and information officer of the Lilly Research Laboratories. Prior to Eli Lilly, he was a vice president and head of R&D information technology for the Parke-Davis Pharmaceutical Research division of Warner-Lambert Company. Prior to his positions in industry, he was the Wisconsin Distinguished Professor of Chemi- cal Engineering at the University of Wisconsin-Madison. He received his B.S. and M.S. degrees from the California Institute of Technology (1979) and his Ph.D. degree in chemical engineering from Princeton University (1983~. His research interests include computational fluid dynamics, computational biology and high- performance computing. He is a member of the National Academy of Engineering. Kenny B. Lipkowitz is chairman and professor of chemistry at North Da- kota State University. Prior to assuming this position in 2003, he was professor of

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66 APPENDIX B chemistry at the Purdue University School of Science and associate director of chemical informatics in the Indiana University School of Informatics. He received his B.S. in chemistry from the State University of New York at Geneseo in 1972 and his Ph.D. in organic chemistry from Montana State University in 1975. Lipkowitz's work in informatics focuses on the derivation of three-dimensional descriptors of molecules for use in quantitative structure activity relationships (QSAR), one of several techniques used for computer-assisted molecular design. He is associate editor of the Journal of Chemical Information and Computer Science, and editor of Reviews in Computational Chemistry. Julio M. Ottino is currently Robert R. McCormick Institute Professor and Walter P. Murphy Professor of Chemical Engineering at Northwestern Univer- sity in Evanston, Illinois. He was chairman of the Department of Chemical Engi- neering from 1992 to 2000. Ottino received a Ph.D. in chemical engineering from the University of Minnesota and has held research positions at the California Institute of Technology and Stanford University. His research interests are in the area of complex systems and nonlinear dynamics with applications to fluids and granular matter. He is a fellow of the American Physical Society and the Ameri- can Association for the Advancement of Science. He is a member of the National Academy of Engineering. John C. Tully is Arthur T. Kemp Professor of Chemistry, Physics, and Ap- plied Physics in the Department of Chemistry at Yale University. Tully is a lead- ing theorist studying the dynamics of gas surface interactions. He develops theo- retical and computational methods to address fundamental problems and then works with experimentalists to integrate theory with observation. Energy ex- change and redistribution, adsorption and Resorption, and dissociation and re- combination are among surface phenomena he has elucidated. He uses mixed quantum-classical dynamics, which allow the extension of conventional molecu- lar dynamics simulation methods to processes involving electronic transitions or quantum atomic motion. He is a member of the National Academy of Sciences. Peter G. Wolynes (Steering Committee Liaison) is professor of chemistry and biochemistry at the University of California, San Diego. He was previously professor of chemistry at the University of Illinois at Urbana-Champaign. He received his A.B. from Indiana University in 1971 and his Ph.D. from Harvard University in 1976. His research area is physical chemistry with specialized inter- ests in chemical physics of condensed matter, quantum dynamics and reaction kinetics in liquids, dynamics of complex fluids, phase transitions and the glassy state, and biophysical applications of statistical mechanics, especially protein folding. He is a member of the National Academy of Sciences.