870 citations · 2.1k across the 16 of their papers we have counts for
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Unexpected stable stoichiometries of sodium chlorides
Weiwei Zhang, Artem R. Oganov, Alexander F. Goncharov +7
Sodium chloride (NaCl), or rocksalt, is well characterized at ambient pressure. Due to the large electronegativity difference between Na and Cl atoms, it has highly ionic chemical…
Predicted Novel Hydrogen Hydrate Structures under Pressure from First Principles
Guang-Rui Qian, Andriy O. Lyakhov, Qiang Zhu +2
Gas hydrates are systems of prime importance. In particular, hydrogen hydrates are potential materials of icy satellites and comets, and may be used for hydrogen storage. We explor…
Evolutionary search for new high-k dielectric materials: methodology and applications to hafnia-based oxides
Qingfeng Zeng, Artem R. Oganov, Andriy O. Lyakhov +6
High-k dielectric materials are important as gate oxides in microelectronics and as potential dielectrics for capacitors. In order to enable computational discovery of novel high-k…