Atom-centered machine-learning force field package
In recent years, machine learning algorithms have been widely used for constructing force
fields with an accuracy of ab initio methods and the efficiency of classical force fields. Here …
fields with an accuracy of ab initio methods and the efficiency of classical force fields. Here …
Atom-centered machine-learning force field package
L Li, RA Ciufo, J Lee, C Zhou, B Lin… - Computer Physics …, 2023 - ui.adsabs.harvard.edu
In recent years, machine learning algorithms have been widely used for constructing force
fields with an accuracy of ab initio methods and the efficiency of classical force fields. Here …
fields with an accuracy of ab initio methods and the efficiency of classical force fields. Here …
[PDF][PDF] Atom-centered machine-learning force field package
L Li, RA Ciufo, J Lee, C Zhou, B Lin… - Computer Physics …, 2023 - theory.cm.utexas.edu
The use of atomistic calculations to study condensed matter systems has become standard
for determining structures, reaction pathways, transition states, and barriers of complex …
for determining structures, reaction pathways, transition states, and barriers of complex …
[PDF][PDF] Atom-centered machine-learning force field package
L Li, RA Ciufo, J Lee, C Zhou, B Lin… - Computer Physics …, 2023 - henkelmanlab.org
The use of atomistic calculations to study condensed matter systems has become standard
for determining structures, reaction pathways, transition states, and barriers of complex …
for determining structures, reaction pathways, transition states, and barriers of complex …
[引用][C] Atom-centered machine-learning force field package
L Li, RA Ciufo, J Lee, C Zhou, B Lin, J Cho… - Computer Physics …, 2023 - par.nsf.gov
[PDF][PDF] Atom-centered machine-learning force field package
L Li, RA Ciufo, J Lee, C Zhou, B Lin… - Computer Physics …, 2023 - henkelmanlab.org
The use of atomistic calculations to study condensed matter systems has become standard
for determining structures, reaction pathways, transition states, and barriers of complex …
for determining structures, reaction pathways, transition states, and barriers of complex …