International Journal Open Access

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

Authors

Berk Hess, Carsten Kutzner, David van der Spoel, Erik R. Lindahl

Journal

Journal of Chemical Theory and Computation

Year Published

2008

Publisher

American Chemical Society

Citations

15904 citations

Type

Article

Language

EN

Topics & Concepts

Computer science (0.82) Scalability (0.73) Algorithm (0.49) Computational science (0.48) Node (physics) (0.46)

Abstract

GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation - Full text available via OpenAlex

Author Details

Berk Hess

ORCID

Carsten Kutzner

ORCID

David van der Spoel

ORCID

Erik R. Lindahl

ORCID

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