PyGAMD: Python graphics processing unit‐accelerated molecular dynamics software

PyGAMD: Python graphics processing unit‐accelerated molecular dynamics software

Abstract PyGAMD (Python GPU‐accelerated molecular dynamics software) is a molecular simulation platform developed from scratch. It is designed for soft matter, especially for polymer by integrating coarse‐grained/multi‐scale models, methods, and force fields. It essentially includes an interpreter o...

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Bibliographic Details
Main Authors: Jialei Xu, Shenghong Guo, Miaolan Zhen, Zhuochen Yu, Youliang Zhu, Giuseppe Milano, Zhongyuan Lu
Format: Article
Language:English
Published: Wiley-VCH 2025-06-01
Series:Materials Genome Engineering Advances
Subjects:
GPU‐acceleration
interpreter
molecular dynamics
multi‐scale
polymer
soft matter
Online Access:https://doi.org/10.1002/mgea.70019
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https://doi.org/10.1002/mgea.70019

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