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pro vyhledávání: '"Balasubramanian, Vivekanandan"'
The accurate sampling of protein dynamics is an ongoing challenge despite the utilization of High-Performance Computers (HPC) systems. Utilizing only "brute force" MD simulations requires an unacceptably long time to solution. Adaptive sampling metho
Externí odkaz:
http://arxiv.org/abs/1907.06954
Autor:
Balasubramanian, Vivekanandan, Bethune, Iain, Shkurti, Ardita, Breitmoser, Elena, Hruska, Eugen, Clementi, Cecilia, Laughton, Charles, Jha, Shantenu
For many macromolecular systems the accurate sampling of the relevant regions on the potential energy surface cannot be obtained by a single, long Molecular Dynamics (MD) trajectory. New approaches are required to promote more efficient sampling. We
Externí odkaz:
http://arxiv.org/abs/1606.00093
There are many science applications that require scalable task-level parallelism and support for flexible execution and coupling of ensembles of simulations. Most high-performance system software and middleware, however, are designed to support the e
Externí odkaz:
http://arxiv.org/abs/1602.00678
Akademický článek
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Traditionally, advances in high-performance scientific computing have focused on the scale, performance, and optimization of an application with a large, single task, and less on applications comprised of multiple tasks. However, many scientific prob
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a14611d5e77de9c21570dd179e92e135
Towards Frameworks for Large Scale Ensemble-based Execution Patterns by Vivekanandan Balasubramanian Thesis Director: Dr. Shantenu Jha A major challenge in the field of chemical sciences is to bridge the gap between the ability to study matter at an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c93effbfb869cd941a5f375f95f476ef
Akademický článek
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Autor:
Ravindran Girija, Aswathy1 (AUTHOR), Strudwick, Xanthe1 (AUTHOR), Balasubramanian, Sivakumar1 (AUTHOR), Palaninathan, Vivekanandan2 (AUTHOR), Nair, Sakthikumar Dasappan2 (AUTHOR), Cowin, Allison J.1 (AUTHOR) allison.cowin@unisa.edu.au
Publikováno v:
Pharmaceutics. Mar2023, Vol. 15 Issue 3, p880. 13p.
