101 citations · 135 across the 5 of their papers we have counts for
Showing 2018 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2018
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
Generalized convex hull construction for materials discovery
Andrea Anelli, Edgar A. Engel, Chris J. Pickard +1
High-throughput computational materials searches generate large databases of locally-stable structures. Conventionally, the needle-in-a-haystack search for the few experimentally-s…