Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics Seventh Round (2016) / Chapter Skim
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Appendix D: Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics, Seventh Round
Appendix D: Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics, Seventh Round
Pages 12-17
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From page 12... ...
SHANKAR, Harvard University ERIKA TAYLOR, Wesleyan University MARK TUCKERMAN, New York University FENG WANG, University of Arkansas CHUNG WONG, University of Missouri YINGHAO WU, Albert Einstein College of Medicine TROY W WYMORE, University of Michigan Project Staff KEEGAN SAWYER, Project Director, Board on Life Sciences LAURA DEFEO, Director, Program & Policy ANNA SBEREGAEVA, Associate Program Officer, Board on Chemical Sciences and Technology ANGELA KOLESNIKOVA, Sr.
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From page 13... ...
He was also Professor of Physics and Senior Constellation Chaired Professor of Biocomputation and Bioinformatics. The Garcia Research Group focuses on the use of theoretical and computational methods to study aspects related to biomolecular dynamics and statistical mechanics.
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She has been a postdoctoral scholar at the University of Chicago from 2010 to 2013, where she has continued studies of membrane proteins with a focus on the NaK ATPase using computational modeling techniques, as well as molecular dynamics simulations. Her research at UIC will continue on theoretical and computational studies of membrane proteins.
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From page 15... ...
Over his tenure in research and development in the semiconductor industry, he and his team worked on several new initiatives: using modeling to optimize semiconductor processing and equipment for several technology generations; advanced process control using physics-based models; thermo-mechanical reliability of microprocessors; thermal modeling of 3D die stacking; and using thermodynamic principles to estimate 15
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Dr. Tuckerman's research includes Modern theoretical methods combined with advanced scientific computing has transformed the ability to perform modeling and simulation studies of key processes in chemistry, nanoscience, and biology that generate realistic results with full atomic resolution.
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His current research focuses on applying hybrid QC/MM simulations to investigate the enzymatic mechanisms of DFPase, Xylose Isomerase, and 5-epi-aristolocholene synthase. The results of these studies provide insight into strategies for redesigning these enzymes to more effectively degrade nerve agents (DFPase)
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