3 papers
cond-mat.mtrl-sci2018
Simultaneous prediction of atomic structure and stability of nanoclusters in a wide area of compositions
S. V. Lepeshkin, V. S. Baturin, Yu. A. Uspenskii +1
We present a universal method for the large-scale prediction of the atomic structure of clusters. Our algorithm performs the joint evolutionary search for all clusters in a given a…
cond-mat.supr-con2017
Superconductivity and unexpected chemistry of germanium hydrides under pressure
M. M. Davari Esfahani, A. R. Oganov, H. Niu +1
Following the idea that hydrogen-rich compounds might be high-T superconductors at high pressures, and the very recent breakthrough in predicting and synthesizing hydrogen sulf…
cond-mat.mtrl-sci2016
Prediction of a new ground state of superhard compound B6O at ambient conditions
Huafeng Dong, Artem R. Oganov, Qinggao Wang +7
Boron suboxide B6O, the hardest known oxide, has an R-3m crystal structure (α-B6O) that can be described as an oxygen-intercalated structure of α-boron, or, equivalently, as a cubi…