Zobrazeno 1 - 10
of 116
pro vyhledávání: '"Lepeshkin S"'
Autor:
Artsukevich, A. Yu., Lepeshkin, S. V.
We present a new approach for the generation of stable structures of nanoclusters using deep learning methods. Our method consists in constructing an artificial potential energy surface, with local minima corresponding to the most stable structures a
Externí odkaz:
http://arxiv.org/abs/2206.09002
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 area of the compositional space and takes advantage of structural simil
Externí odkaz:
http://arxiv.org/abs/1812.06568
Publikováno v:
The Journal of Chemical Physics 145, 074313 (2016)
The first-principle prediction of nanocluster stable structure is often hampered by the existence of many isomer configurations with energies close to the ground state. This fact attaches additional importance to many-electron effects going beyond de
Externí odkaz:
http://arxiv.org/abs/1603.01730
Autor:
Fedyaeva M; Vernadsky Institute of Geochemistry and Analytical Chemistry, Russian Academy of Sciences, Kosygina, 19, Moscow, 119991, Russia.; Materials Discovery Laboratory, Skolkovo Institute of Science and Technology, Bolshoy Boulevard 30, bld. 1, Moscow, 121205, Russia., Lepeshkin S; Vernadsky Institute of Geochemistry and Analytical Chemistry, Russian Academy of Sciences, Kosygina, 19, Moscow, 119991, Russia.; Materials Discovery Laboratory, Skolkovo Institute of Science and Technology, Bolshoy Boulevard 30, bld. 1, Moscow, 121205, Russia.; Lebedev Physical Institute, Russian Academy of Sciences, 53 Leninskii prosp., 119991, Moscow, Russia., Chukanov NV; Federal Research Center of Problems of Chemical Physics and Medicinal Chemistry, Russian Academy of Sciences, Chernogolovka, 142432, Russia., Oganov AR; Materials Discovery Laboratory, Skolkovo Institute of Science and Technology, Bolshoy Boulevard 30, bld. 1, Moscow, 121205, Russia.
Publikováno v:
Chemphyschem : a European journal of chemical physics and physical chemistry [Chemphyschem] 2024 Oct 16; Vol. 25 (20), pp. e202400532. Date of Electronic Publication: 2024 Sep 08.
Akademický článek
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Publikováno v:
Journal of Structural Chemistry; Feb2024, Vol. 65 Issue 2, p331-340, 10p
Autor:
Rybkovskiy, D. V.1,2 (AUTHOR) rybkovskiyd@gmail.com, Lepeshkin, S. V.1,2,3 (AUTHOR), Mikhailova, A. A.1,2 (AUTHOR), Baturin, V. S.1 (AUTHOR)
Publikováno v:
Journal of Structural Chemistry. Feb2024, Vol. 65 Issue 2, p331-340. 10p.
Autor:
Fedyaeva M; Moscow State University, Leninskie Gory, Moscow 119991, Russia. femaal.femaal3@yandex.ru.; Vernadsky Institute of Geochemistry and Analytical Chemistry, Russian Academy of Sciences, Kosygina, 19, Moscow, 119991, Russia., Lepeshkin S; Vernadsky Institute of Geochemistry and Analytical Chemistry, Russian Academy of Sciences, Kosygina, 19, Moscow, 119991, Russia.; Skolkovo Institute of Science and Technology, Bolshoy Boulevard 30, bld. 1, Moscow, 121205, Russia.; Lebedev Physical Institute, Russian Academy of Sciences, 53 Leninskii prosp., 119991, Moscow, Russia., Oganov AR; Skolkovo Institute of Science and Technology, Bolshoy Boulevard 30, bld. 1, Moscow, 121205, Russia.
Publikováno v:
Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2023 Mar 29; Vol. 25 (13), pp. 9294-9299. Date of Electronic Publication: 2023 Mar 29.
Publikováno v:
Journal of Chemical Physics; 2016, Vol. 145 Issue 7, p1-8, 8p, 5 Diagrams, 2 Charts, 1 Graph
Akademický článek
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