Zobrazeno 1 - 10
of 219
pro vyhledávání: '"Levchenko, Sergey"'
Autor:
Fazlizhanova, Dina I., Batulin, Ruslan G., Chupakhina, Tatiana I., Deeva, Yulia. A., Levchenko, Sergey V.
Atomic, electronic, and magnetic structure of LaSrCo$_{1/2}$Fe$_{1/2}$O$_4$ mixed-metal Ruddlesden-Popper oxide is investigated theoretically using self-consistent ACBN0 DFT + $U$ approach. We show that the electronic and magnetic properties strongly
Externí odkaz:
http://arxiv.org/abs/2407.00376
Transition-metal compounds represent a fascinating playground for exploring the intricate relationship between structural distortions, electronic properties, and magnetic behaviour, holding significant promise for technological advancements. Among th
Externí odkaz:
http://arxiv.org/abs/2404.19343
Symbolic-inference methods have recently found a broad application in materials science. In particular, the Sure-Independence Screening and Sparsifying Operator (SISSO) performs symbolic regression and classification by adopting compressed sensing fo
Externí odkaz:
http://arxiv.org/abs/2403.15816
Autor:
Tantardini, Christian, Zakaryan, Hayk A., Han, Zhong-Kang, Altalhi, Tariq, Levchenko, Sergey V., Kvashnin, Alexander G., Yakobson, Boris I.
Hardness is a materials' property with implications in several industrial fields, including oil and gas, manufacturing, and others. However, the relationship between this macroscale property and atomic (i.e., microscale) properties is unknown and in
Externí odkaz:
http://arxiv.org/abs/2304.12880
Autor:
Fazlizhanova, Dina I.1 (AUTHOR) dina.fazlizhanova@skoltech.ru, Levchenko, Sergey V.1 (AUTHOR)
Publikováno v:
Scientific Reports. 11/29/2024, Vol. 14 Issue 1, p1-12. 12p.
Autor:
Abedi, Saeid, Ahmadpour, Mehdi Tarighi, Baninajarian, Samira, Kahnouji, Hamideh, Hashemifar, S. Javad, Han, Zhong-Kang, Levchenko, Sergey V.
The band gap is an important parameter of semiconductor materials that influences several functional properties, in particular optical properties. However, a fast and reliable first-principles prediction of band gaps remains a challenging problem. St
Externí odkaz:
http://arxiv.org/abs/2211.14644
Autor:
Ghiringhelli, Luca M., Baldauf, Carsten, Bereau, Tristan, Brockhauser, Sandor, Carbogno, Christian, Chamanara, Javad, Cozzini, Stefano, Curtarolo, Stefano, Draxl, Claudia, Dwaraknath, Shyam, Fekete, Ádám, Kermode, James, Koch, Christoph T., Kühbach, Markus, Ladines, Alvin Noe, Lambrix, Patrick, Lenz-Himmer, Maja-Olivia, Levchenko, Sergey, Oliveira, Micael, Michalchuk, Adam, Miller, Ron, Onat, Berk, Pavone, Pasquale, Pizzi, Giovanni, Regler, Benjamin, Rignanese, Gian-Marco, Schaarschmidt, Jörg, Scheidgen, Markus, Schneidewind, Astrid, Sheveleva, Tatyana, Su, Chuanxun, Usvyat, Denis, Valsson, Omar, Wöll, Christof, Scheffler, Matthias
The expansive production of data in materials science, their widespread sharing and repurposing requires educated support and stewardship. In order to ensure that this need helps rather than hinders scientific work, the implementation of the FAIR-dat
Externí odkaz:
http://arxiv.org/abs/2205.14774
Publikováno v:
In Physica B: Condensed Matter 15 December 2024 695
Autor:
Tantardini, Christian, Zakaryan, Hayk A., Han, Zhong-Kang, Altalhi, Tariq, Levchenko, Sergey V., Kvashnin, Alexander G., Yakobson, Boris I.
Publikováno v:
In Journal of Computational Science October 2024 82
Publikováno v:
In Computational Materials Science January 2025 246