329 citations · 567 across the 25 of their papers we have counts for
5 papers · 1 filter
Sr-Doped Molecular Hydrogen: Synthesis and Properties of SrH
Dmitrii V. Semenok, Wuhao Chen, Xiaoli Huang +9
Recently, several research groups announced reaching the point of metallization of hydrogen above 400 GPa. Following the mainstream of extensive investigations of compressed polyhy…
Grain boundaries in minerals: atomic structure, phase transitions, and effect on strength of polycrystals
Arslan B. Mazitov, Artem R. Oganov
Grain boundaries (GBs) and interfaces in polycrystalline materials are significant research subjects in the field of materials science. Despite a more than 50-year history of their…
Topological phase singularities in atomically thin high-refractive-index materials
Georgy Ermolaev, Kirill Voronin, Denis G. Baranov +15
Atomically thin transition metal dichalcogenides (TMDCs) present a promising platform for numerous photonic applications due to excitonic spectral features, possibility to tune the…
Evolutionary algorithm for prediction of the atomic structure of two-dimensional materials on substrates
Arslan B. Mazitov, Artem R. Oganov
Today the study of two-dimensional (2D) materials has become one of the key objectives of materials science. Unlike their three-dimensional counterparts, 2D materials can simultane…
Crystal structure prediction at finite temperatures
Ivan A. Kruglov, Alexey V. Yanilkin, Yana Propad +1
Crystal structure prediction is a central problem of theoretical crystallography and materials science, which until mid-2000s was considered intractable. Several methods, based on…