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Suggested Citation:"Appendix F: Participants." National Research Council. 2003. Information and Communications: Challenges for the Chemical Sciences in the 21st Century. Washington, DC: The National Academies Press. doi: 10.17226/10831.
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Page 182
Suggested Citation:"Appendix F: Participants." National Research Council. 2003. Information and Communications: Challenges for the Chemical Sciences in the 21st Century. Washington, DC: The National Academies Press. doi: 10.17226/10831.
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Page 183
Suggested Citation:"Appendix F: Participants." National Research Council. 2003. Information and Communications: Challenges for the Chemical Sciences in the 21st Century. Washington, DC: The National Academies Press. doi: 10.17226/10831.
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Page 184

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F Participants CHALLENGES FOR THE CHEMICAL SCIENCES IN THE 21ST CENTURY: WORKSHOP ON INFORMATION AND COMMUNICATIONS October 31-November 2, 2002 Richard C. Alkire, University of Illinois at Urbana Daniel Auerbach, IBM Research Paul I. Barton, Massachusetts Institute of Technology Charles H. Bennett, IBM Research Corporation David L. Beveridge, Wesleyan University Curt M. Breneman, Rensselaer Polytechnic Institute Ronald Breslow, Columbia University Donald M. Burland, National Science Foundation Stanley K. Burt, National Cancer Institute Anne M. Chaka, National Institute of Standards and Technology Dennis I. Chamot, The National Academies Thomas W. Chapman, National Science Foundation Hongda Chen, U.S. Department of Agriculture Zhong-Ying Chen, SAIC Dean A. Cole, U.S. Department of Energy Peter T. Cummings, Vanderbilt University David A. Daniel, American Chemical Society Juan J. de Pablo, University of Wisconsin, Madison Brett I. Dunlap, U.S. Naval Research Laboratory Thom H. Dunning, Jr., Joint Institute for Computational Sciences, University of Tennessee, Oak Ridge National Laboratory 182

APPENDIX F Gregory Farber, National Institutes of Health Christodoulos A. Floudas, Princeton University Richard Friesner, Columbia University Michael Frisch, Gaussian, Inc. Christos Georgakis, Polytechnic University Stephen Gray, Argonne National Laboratory Mihal E. Gross, RAND, Science and Technology Policy Institute Ignacio E. Grossmann, Carnegie Mellon University Peter Gund, IBM Life Sciences Carol Handwerker, National Institute of Standards and Technology William L. Hase, Wayne State University James R. Heath, University of California, Los Angeles Judith C. Hempel, University of Texas at Austin Richard L. Hilderbrandt, National Science Foundation Daniel Hitchcock, U.S. Department of Energy Peter C. Jurs, Pennsylvania State University Miklos Kertesz, Georgetown University Atsuo Kuki, Pfizer Global Research & Development Michael Kurz, Illinois State University Angelo Lamola, Worcester, Pennsylvania Ku-Yen Li, Lamar University Kenneth B. Lipkowitz, North Dakota State University Mehrdad Lordgooei, Drexel University Andrew J. Lovinger, National Science Foundation Peter Ludovice, Georgia Institute of Technology Dimitrios Maroudas, University of Massachusetts, Amherst Glenn J. Martyna, IBM T.J. Watson Research Laboratory Paul H. Maupin, U.S. Department of Energy Gregory J. McRae, Massachusetts Institute of Technology Julio M. Ottino, Northwestern University Dimitrios V. Papvassiliou, University of Oklahoma Linda R. Petzold, University of California, Santa Barbara John A. Pople, Northwestern University Larry A. Rahn, Sandia National Laboratory Mark A. Ratner, Northwestern University Robert H. Rich, American Chemical Society, Petroleum Research Fund Celeste M. Rohlfing, National Science Foundation David Rothman, Dow Chemical Company George C. Schatz, Northwestern University Peter P. Schmidt, Office of Naval Research Michael Schrage, Massachusetts Institute of Technology Robert W. Shaw, U.S. Army Research Office Larry L. Smarr, University of California, San Diego 183

184 Ellen B. Stechel, Ford Motor Company Walter J. Stevens, U.S. Department of Energy Terry R. Stouch, Bristol-Myers Squibb Company Michael R. Thompson, Pacific Northwest National Laboratory M. Silvina Tomassone, Rutgers University Mark E. Tuckerman, New York University John C. Tully, Yale University Dennis J. Underwood, Bristol-Myers Squibb Company Ernesto Vera, Dow Chemical Company Dion Vlachos, University of Delaware Alfons Weber, National Science Foundation Philip R. Westmoreland, University of Massachusetts Ralph A. Wheeler, University of Oklahoma William T. Winter, State University of New York APPENDIX F

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Since publication of the National Research Council (NRC) reports on chemistry in 1985 and chemical engineering in 1988,1,2 dramatic advances in information technology (IT) have totally changed these communities. During this period, the chemical enterprise and information technology have enjoyed both a remarkably productive and mutually supportive set of advances. These synergies sparked unprecedented growth in the capability and productivity of both fields including the definition of entirely new areas of the chemical enterprise. The chemical enterprise provided information technology with device fabrication processes, new materials, data, models, methods, and (most importantly) people. In turn, information technology provided chemical science and technology with truly remarkable and revolutionary resources for computations, communications, and data management. Indeed, computation has become the strong third component of the chemical science research and development effort, joining experiment and theory. Sustained mutual growth and interdependence of the chemical and information communities should take account of several unique aspects of the chemical sciences. These include extensive and complex databases that characterize the chemical disciplines; the importance of multiscale simulations that range from molecules to technological processes; the global economic impact of the chemical industry; and the industry's major influence on the nation's health, environment, security, and economic well-being. In planning the future of the chemical sciences and technology, it is crucial to recognize the benefits already derived from advances in information technology as well as to point the way to future benefits that will be derived.

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