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cond-mat.mtrl-sci2024
Substrate-aware computational design of two-dimensional materials
Arslan Mazitov, Ivan Kruglov, Alexey V. Yanilkin +5
Two-dimensional materials have attracted considerable attention due to their remarkable electronic, mechanical and optical properties, making them prime candidates for next-generat…
cond-mat.mtrl-sci2021
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…
cond-mat.mtrl-sci2018
Titanium-hydrogen interaction at megabar pressure
Arslan B. Mazitov, Artem R. Oganov, Alexey V. Yanilkin
The process of transport of metal particles () in gases is the subject of recent works in the field of nuclear energetics. We studied the process of dissolution of…