MDScale: Scalable multi-GPU bonded and short-range molecular dynamics-Reference-Cited by-同舟云学术

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MDScale: Scalable multi-GPU bonded and short-range molecular dynamics

Published:2021-11 Issue: Volume:157 Page:243-255
ISSN:0743-7315
Container-title:Journal of Parallel and Distributed Computing
language:en
Short-container-title:Journal of Parallel and Distributed Computing

Author:

Barreales Gonzalo Nicolas,Novalbos Marcos,Otaduy Miguel A.,Sanchez Alberto

Funder

Ministerio de Ciencia, Innovación y Universidades

Amazon Web Services

Publisher

Elsevier BV

Subject

Artificial Intelligence,Computer Networks and Communications,Hardware and Architecture,Theoretical Computer Science,Software

Reference44 articles.

1. GROMACS: high performance molecular simulations through multi-level parallelism from laptops to supercomputers;Abraham;SoftwareX,2015

2. Real-time parallel hashing on the gpu;Alcantara;ACM Trans. Graph.,2009

3. Extrapolation versus impulse in multiple-timestepping schemes. II. linear analysis and applications to Newtonian and Langevin dynamics;Barth;J. Chem. Phys.,1998

4. The protein data bank;Berman;Nucleic Acids Res.,2000

5. CHARMM: the biomolecular simulation program;Brooks;J. Comput. Chem.,2009

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2. Comparative analysis of soft-error sensitivity in LU decomposition algorithms on diverse GPUs;The Journal of Supercomputing;2024-02-22

3. Computational Approaches for Organic Semiconductors: From Chemical and Physical Understanding to Predicting New Materials;Chemical Reviews;2023-05-04

4. Digital Synthesis of Realistically Clustered Carbon Nanotubes;C;2022-06-22

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