Machine learning prediction of interaction energies in rigid water clusters
2018 ◽
Vol 20
(35)
◽
pp. 22987-22996
◽
Keyword(s):
A new machine learning based approach combining support vector regression (SVR) and many body expansion (MBE) that can predict the interaction energies of water clusters with high accuracy (for decamers: 2.78% of QM estimates).
2021 ◽
Vol ahead-of-print
(ahead-of-print)
◽
2012 ◽
Vol 468-471
◽
pp. 579-582
Keyword(s):
2021 ◽
Keyword(s):
2022 ◽
Vol 12
(1)
◽
pp. 11-22
2021 ◽