Molecular Dynamics Performance Evaluation with Modern Computer Architecture

DOI10.1007/978-3-030-40616-5_26MaRDI QIDQ5122307zbMATH OpenOpenAlexFDO

Authors Emanuele Breuza, Giorgio Colombo, Daniele Gregori, Filippo Marchetti

Publication date 22 September 2020

Published in Lecture Notes in Computer Science (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/978-3-030-40616-5_26

zbMATH Keywords

high performance computingmolecular dynamicsGromacs

Mathematics Subject Classification ID

Numerical analysis (65-XX)

Describes a project that uses

Uses Software

• Gromacs
• FFTW

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