1k citations · 4.6k across the 71 of their papers we have counts for
Showing 2018 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2018★ 379 cited
Ab initio thermodynamics of liquid and solid water
Bingqing Cheng, Edgar A. Engel, Jörg Behler +2
Thermodynamic properties of liquid water as well as hexagonal (Ih) and cubic (Ic) ice are predicted based on density functional theory at the hybrid-functional level, rigorously ta…
cond-mat.mtrl-sci2018★ 77 cited
Melting Si: beyond density functional theory
Florian Dorner, Zoran Sukurma, Christoph Dellago +1
The melting point of silicon in the cubic diamond phase is calculated using the random phase approximation (RPA). The RPA includes exact exchange as well as an approximate treatmen…