Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields
, Authors:
Mehmet Cagri Kaymak, Ali Rahnamoun, Kurt A. O'Hearn, Adri C. T. van Duin, Kenneth M. Merz Jr., Hasan Metin Aktulga
Version 2 posted 03 January 2022
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