Robust and effective ab initio molecular dynamics simulations on the GPU cloud infrastructure using the Schrödinger Materials Science Suite

Fuente: arXiv

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Bibliographic Details
Main Authors:	Fonari, Alexandr, Agarwal, Garvit, Tiwari, Subodh C., Brock, Casey N., Gavartin, Jacob, Halls, Mathew D.
Format:	Preprint
Published:	2024
Subjects:	Materials Science
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2406.17510