463 citations · 2.3k across the 58 of their papers we have counts for
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cond-mat.mtrl-sci2010
Ab initio quality study of the graphite-diamond phase coexistence
Rustam Z. Khaliullin, Hagai Eshet, Thomas D. Kühne +2
An interatomic potential for the diamond and graphite phases of carbon has been created using a neural-network (NN) representation of the ab initio potential energy surface. The NN…
cond-mat.mtrl-sci2010★ 133 cited
Ab initio quality neural-network potential for sodium
Hagai Eshet, Rustam Z. Khaliullin, Thomas D. Kuhne +2
An interatomic potential for high-pressure high-temperature (HPHT) crystalline and liquid phases of sodium is created using a neural-network (NN) representation of the ab initio po…