National Center for Supercomputing Applications

TES gratefully acknowledges the Alfred P. Sloan Foundation for support and the National Science Foundation for support (CHE-9632236) and computational resources at the National Center for Supercomputing Applications (CHE-960010N). 

We thank the contributions of many group members, especially Drs. D. Riccardi and P. Koenig, without whom the work discussed here could not have been done. The studies were partially supported from the ACS-PRF-38186-G4, National Science Foundation (MCB-0314327,CHEM-CAREER-0348649) and the National Institutes of Health (R01-GM071428-01). Q.C. also acknowledges a Alfred P. Sloan Research Fellowship and discussions with Prof. D. M. York on many QM/MM related topics. Computational resources from the National Center for Supercomputing Applications at the University of Illinois are greatly appreciated. 

Support for that portion of this work dealing with electrolyte solution theory has been provided to J.E. by the National Science Foundation (CBT-8811789) and by a grant of Cray X-MP time at the National Center for Supercomputing Applications. The authors wish to express appreciation for assistance provided by Nr. John Potter with the development of computer software used in the production of a movie of a nucleation event shown at this symposium. 

This work has been supported in part by the U.S. National Science Foundation, grant AST 84-13371, by the U. S. Department of Energy, and by the National Center for Supercomputing Applications. 

Acknowledgments. This work was supported by the United States Public Health Service (National Institutes of Health grants HL-19481 and GM-50694), and utilized computational facilities made available by the National Center for Supercomputing Applications (supported by NSF grant CHE97-0020N). We are grateful to Professor P. Coppens for assistance with multipole refinement of our x-ray data. 

Department of Bioengineering, Micro and Nanotechnology Laboratory, National Center for Supercomputing Applications and Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign,... 

National Center for Supercomputing Applications University of Illinois at Urbana—Champaign Champaign, IL 61820, U.S.A. 

We would like to thank Allen Armstrong, Rainer Malzbender, Paul Beale, Michael Fisher, and Tom Lubensky for their invaluable suggestions and comments. This work was supported by the National Science Foundation under Grant Nos. DMR-8807443 and DMR-9003431, and was partially supported by the National Center for Supercomputing Applications under Grant No. DMR-900011N. 

This work was supported at the University of South Alabama in part by the donors of the Petroleum Research Fund, administered by the American Chemical Society, Cray Research, and IBM Corporation, and at the University of Houston by the Robert A. Welch Foundation, the National Institutes of Health (NIH), the National Center for Supercomputing Applications, and the San Diego Supercomputer Center. MKG is the recipient of the Howard Hughes Postdoctoral Fellowship for Physicians, and BAL is the recipient of an NIH predoctoral traineeship in the Houston Area Molecular Biophysics Training Program. 

NCP (network control program) NCSA (National Center for Supercomputing Applications)... 

J. J. L. and D. A. L. express appreciation for grant funding from the following for helping support work related to this article National Science Foundation, National Institutes of Health, Whitaker Foundation, Procter Gamble, and University of Illinois National Center for Supercomputing Applications. 

We greatly appreciate valuable and stimulating discussions with Dr. Yury Neustadt (Samara State University, Russia) about various problems in the theory of elastic plates and shells. This work was supported by the National Center for Supercomputing Applications and by the National Institutes of Health, Grant no. GM-28643. 

This work was performed at the University of Houston where it was supported in part by-grants to Prof. J. A. McCammon from the National Science Foundation, the Robert A. Welch Foundation, the National Center for Supercomputer Applications, the Houston Advanced Research Center, and NEC Supercomputers. The author thanks Dr. R. C. Wade and Mr. V. Helms for reading the manuscript and making valuable suggestions. 

In summarizing one component of Shi s scholarly impact, T. H. Dunning, Director of the National Center for Supercomputer Applications (NCSA), recently noted, It was Shi and his generation that laid the foundation for the use of digital computers to obtain rigorous solutions of the electronic Schroedinger equation. ... 

Acknowledgments This work was supported by funding from the Distinguished Chair ftn Research Excellence in Chemistry and the National Center for Supercomputing Applications at the University of niinois at Urbana-Champaign. 

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