High-Throughput Molecular Dynamics Simulations and Validation of Thermophysical Properties of Polymers for Various Applications

Mohammad Atif Faiz Afzal,Andrea R. Browning,Alexander Goldberg,Mathew D. Halls,Jacob Gavartin,Tsuguo Morisato,Thomas F. Hughes,David J. Giesen,Joseph E. Goose

High-Throughput Molecular Dynamics Simulations and Validation of Thermophysical Properties of Polymers for Various Applications

2020

Mohammad Atif Faiz Afzal
Andrea R. Browning
Alexander Goldberg
Mathew D. Halls
Jacob Gavartin
Tsuguo Morisato
Thomas F. Hughes
David J. Giesen
Joseph E. Goose

Recent advances in graphics processing unit (GPU) hardware and improved efficiencies of atomistic simulation programs allow for the screening of a large number of polymers to predict properties tha...

Keywords:

Polymer
Computational science
Graphics processing unit
Throughput
Molecular dynamics
Computer science

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