SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects
Computational Chemistry Daily,
nature.com - Machine-learned force fields combine the accuracy of ab initio methods with the efficiency of conventional force…
nature.com - Machine-learned force fields combine the accuracy of ab initio methods with the efficiency of conventional force…
warwick.ac.uk - (left) Light excites electrons in catalyst materials, which can activate chemical dynamics and facilitate…
pubs.rsc.org - Ömer H. Omar , Marcos del Cueto , Tahereh Nematiaram and Alessandro Troisi * Department of Chemistry, University…
onlinelibrary.wiley.com - Rather than numerically solving the computationally demanding equations of quantum or statistical…