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- 1.0566845 - ÚFCH JH 2024 RIV NL eng J - Journal Article
Golub, Pavlo - Antalík, Andrej - Beran, Pavel - Brabec, Jiří
Mutual information prediction for strongly correlated systems.
Chemical Physics Letters. Roč. 813, FEB 2023 (2023), č. článku 140297. ISSN 0009-2614. E-ISSN 1873-4448
R&D Projects: GA ČR(CZ) GJ19-13126Y
Institutional support: RVO:61388955
Keywords : DMRG * Quantum chemistry * Mutual information * Strong correlation * Machine learning
OECD category: Physical chemistry
Impact factor: 2.8, year: 2022
Method of publishing: Limited access
Permanent Link: https://hdl.handle.net/11104/0338119File Download Size Commentary Version Access 0566845.pdf 1 2.2 MB Publisher’s postprint require - 2.0561260 - FZÚ 2023 RIV US eng J - Journal Article
Biswas, K. - Urbani, M. - Sánchez-Grande, A. - Soler Polo, Diego Manuel - Lauwaet, K. - Matěj, Adam - Mutombo, Pingo - Veis, Libor - Brabec, Jiří - Pernal, K. - Gallego, J. M. - Miranda, R. - Écija, D. - Jelínek, Pavel - Torres, T. - Urgel, J. I.
Interplay between π-conjugation and exchange magnetism in one-dimensional porphyrinoid polymers.
Journal of the American Chemical Society. Roč. 144, č. 28 (2022), s. 12725-12731. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA ČR(CZ) GX20-13692X; GA ČR(CZ) GJ19-13126Y
Grant - others:AV ČR(CZ) AP1601
Program: Akademická prémie - Praemium Academiae
Research Infrastructure: CzechNanoLab - 90110
Institutional support: RVO:68378271 ; RVO:61388955
Keywords : nc-AFM * on surface chemistry * polymers
OECD category: Condensed matter physics (including formerly solid state physics, supercond.); Physical chemistry (UFCH-W)
Impact factor: 15, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0333953File Download Size Commentary Version Access 0561260.pdf 2 5.2 MB CC Licence Publisher’s postprint open-access - 3.0546397 - ÚFCH JH 2022 RIV US eng J - Journal Article
Golub, Pavlo - Antalík, Andrej - Veis, Libor - Brabec, Jiří
Machine Learning-Assisted Selection of Active Spaces for Strongly Correlated Transition Metal Systems.
Journal of Chemical Theory and Computation. Roč. 17, č. 10 (2021), s. 6053-6072. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR(CZ) GJ19-13126Y
Grant - others:Ga MŠk(CZ) LM2015070
Institutional support: RVO:61388955
Keywords : MATRIX RENORMALIZATION-GROUP * DENSITY-FUNCTIONAL THEORY * MOLECULAR-STRUCTURE
OECD category: Physical chemistry
Impact factor: 6.578, year: 2021
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0322923File Download Size Commentary Version Access 0546397.pdf 1 8.4 MB Publisher’s postprint require 0546397preprint.pdf 0 8.3 MB Author´s preprint open-access - 4.0538055 - ÚFCH JH 2021 RIV CH eng J - Journal Article
Yang, Ch. - Brabec, Jiří - Veis, Libor - Williams-Young, D. B. - Kowalski, K.
Solving Coupled Cluster Equations by the Newton Krylov Method.
Frontiers in Chemistry. Roč. 8, DEC 2020 (2020), č. článku 590184. ISSN 2296-2646. E-ISSN 2296-2646
R&D Projects: GA ČR(CZ) GJ19-13126Y
Institutional support: RVO:61388955
Keywords : acceleration * epoxidation * chemistry * couple cluster approximation * Newton-Krylov method * diis * precondition * nonlinear solver
OECD category: Physical chemistry
Impact factor: 5.221, year: 2020
Method of publishing: Open access
Permanent Link: http://hdl.handle.net/11104/0315879File Download Size Commentary Version Access 0538055.pdf 2 1.2 MB open access Publisher’s postprint open-access