Zobrazeno 1 - 10
of 73
pro vyhledávání: '"Dmitrii N. Trubnikov"'
Publikováno v:
Frontiers in Physics, Vol 10 (2023)
Externí odkaz:
https://doaj.org/article/f50c80cd2b7c470d8122bfeb5b963539
Publikováno v:
Frontiers in Physics, Vol 10 (2022)
Multiclass classification is of great interest for various applications, for example, it is a common task in computer vision, where one needs to categorize an image into three or more classes. Here we propose a quantum machine learning approach based
Externí odkaz:
https://doaj.org/article/b3f86a1382514b10867d0a01075d80ab
Autor:
Vladimir Alexandrovich Larin, Dmitrii N. Trubnikov, S. Todorova, Alexander V. Larin, A.A. Rybakov
Publikováno v:
CrystEngComm. 24:143-155
A simplified computational scheme for “deposition” of a metallic (Pd) monolayer on semi-ionic supports is considered. An arbitrary selection of the initial position of the deposited layer relative to the surface of the support cannot provide the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::eac86ad5c97696f91a7d5a73132da5c3
https://doi.org/10.1039/d1ce01365c
https://doi.org/10.1039/d1ce01365c
Publikováno v:
International Journal of Quantum Chemistry. 123
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6458b3f5b103bc684c559f5ed9a8d819
https://doi.org/10.1002/qua.27107
https://doi.org/10.1002/qua.27107
Publikováno v:
Doklady Physics. 65:355-358
The paper proposes an approach to estimate the number of modes of collective movement of particles in weakly bound molecular systems, based on the principal component analysis. The example of the water molecule cluster (H2O)8 shows significant differ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8a72b4bd62dcac7f6a78ae18254ab032
https://doi.org/10.1134/s1028335820100018
https://doi.org/10.1134/s1028335820100018
Autor:
Dmitrii N. Trubnikov, E. D. Belega
Publikováno v:
Doklady Mathematics. 99:83-86
The molecular dynamics method was used to analyze the dynamic characteristics of water clusters in the solid and liquid phase. A criterion is proposed for choosing the interaction potential, which is based on the distributions of the potential energy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4d2298791c4bbb19ed6e2ae1654dbfbe
https://doi.org/10.1134/s1064562419010265
https://doi.org/10.1134/s1064562419010265
Publikováno v:
Doklady Mathematics. 98:592-595
The method of molecular dynamics was used for modeling the isomerization of a hydrogen bonding network in small water clusters (hexamer and octamer). The collective modes of the particles moving in the clusters were determined by applying principal c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7f49afaf1af6fc185db284d2a3344574
https://doi.org/10.1134/s1064562418070177
https://doi.org/10.1134/s1064562418070177
Publikováno v:
Chemical Physics Letters. 698:171-175
An explicitly-correlated method of calculation of excited states with spin-orbit couplings, has been formulated and implemented. Developed approach utilizes left and right eigenvectors of equation-of-motion coupled-cluster model, which is based on th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5192f6ac803b4718bf003da4f9d06220
https://doi.org/10.1016/j.cplett.2018.03.027
https://doi.org/10.1016/j.cplett.2018.03.027
Publikováno v:
Chemical Physics Letters. 692:191-195
Double ionization and double electron attachment equation-of-motion methods, based on linearly approximated explicitly correlated coupled-cluster singles and doubles [CCSD(F12)] are formulated and implemented. An extension of double electron attachme
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::77fe54665bd0ddb1f70f763e38f79cdf
https://doi.org/10.1016/j.cplett.2017.12.040
https://doi.org/10.1016/j.cplett.2017.12.040
Publikováno v:
The Journal of Chemical Physics. 155:014107
A linearly approximated explicitly correlated coupled-cluster singles and doubles model for the Fock-space coupled-cluster method has been formulated and implemented. An extension of the Fock-space wave operators is introduced in order to treat the s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::79cff31500efe75d0d0e0a5b1058c4fd
https://doi.org/10.1063/5.0054830
https://doi.org/10.1063/5.0054830