End-to-End Differentiable Reactive Molecular Dynamics Simulations Using JAX

被引：0
|
作者：
Kaymak, Mehmet Cagri [1 ]
Schoenholz, Samuel S. [4 ]
Cubuk, Ekin D. [3 ]
O’Hearn, Kurt A. [1 ]
Merz Jr, Kenneth M. [2 ]
Aktulga, Hasan Metin [1 ]
机构：
[1] Department of Computer Science and Engineering, Michigan State University, East Lansing,MI,48824, United States
[2] Department of Chemistry, Michigan State University, East Lansing,MI,48824, United States
[3] Google Research, Mountain View,CA, United States
[4] OpenAI, San Francisco,CA, United States
来源：
Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) | 2023年 / 13948 LNCS卷
关键词：
Compendex;
D O I：
38th International Conference on High Performance Computing, ISC High Performance 2023
中图分类号：
学科分类号：
摘要：
Graphics processing unit
引用
收藏
页码：202 / 219
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