Revisiting Molecular Dynamics on a CPU/GPU System: Water Kernel and SHAKE Parallelization-Reference-Cited by-同舟云学术

Revisiting Molecular Dynamics on a CPU/GPU System: Water Kernel and SHAKE Parallelization

Published:2012-08-31 Issue:11 Volume:8 Page:4624-4636
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Ruymgaart A. Peter¹,Elber Ron¹

Affiliation:

1. Department of Chemistry and Biochemistry, Institute for Computational Engineering and Sciences, University of Texas at Austin, Austin, Texas 78712, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300324k

Reference28 articles.

1. GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

2. Scalable molecular dynamics with NAMD

3. ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale

4. Anton, a special-purpose machine for molecular dynamics simulation

5. MOIL-opt: Energy-Conserving Molecular Dynamics on a GPU/CPU System

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