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Variational Quantum Eigensolver Boosted by Adiabatic Connection.
Matoušek M, Pernal K, Pavošević F, Veis L. Matoušek M, et al. Among authors: pernal k. J Phys Chem A. 2024 Jan 25;128(3):687-698. doi: 10.1021/acs.jpca.3c07590. Epub 2024 Jan 12. J Phys Chem A. 2024. PMID: 38214999 Free PMC article.
TREXIO: A file format and library for quantum chemistry.
Posenitskiy E, Chilkuri VG, Ammar A, Hapka M, Pernal K, Shinde R, Landinez Borda EJ, Filippi C, Nakano K, Kohulák O, Sorella S, de Oliveira Castro P, Jalby W, Ríos PL, Alavi A, Scemama A. Posenitskiy E, et al. Among authors: pernal k. J Chem Phys. 2023 May 7;158(17):174801. doi: 10.1063/5.0148161. J Chem Phys. 2023. PMID: 37144717
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science.
Teale AM, Helgaker T, Savin A, Adamo C, Aradi B, Arbuznikov AV, Ayers PW, Baerends EJ, Barone V, Calaminici P, Cancès E, Carter EA, Chattaraj PK, Chermette H, Ciofini I, Crawford TD, De Proft F, Dobson JF, Draxl C, Frauenheim T, Fromager E, Fuentealba P, Gagliardi L, Galli G, Gao J, Geerlings P, Gidopoulos N, Gill PMW, Gori-Giorgi P, Görling A, Gould T, Grimme S, Gritsenko O, Jensen HJA, Johnson ER, Jones RO, Kaupp M, Köster AM, Kronik L, Krylov AI, Kvaal S, Laestadius A, Levy M, Lewin M, Liu S, Loos PF, Maitra NT, Neese F, Perdew JP, Pernal K, Pernot P, Piecuch P, Rebolini E, Reining L, Romaniello P, Ruzsinszky A, Salahub DR, Scheffler M, Schwerdtfeger P, Staroverov VN, Sun J, Tellgren E, Tozer DJ, Trickey SB, Ullrich CA, Vela A, Vignale G, Wesolowski TA, Xu X, Yang W. Teale AM, et al. Among authors: pernal k. Phys Chem Chem Phys. 2022 Dec 7;24(47):28700-28781. doi: 10.1039/d2cp02827a. Phys Chem Chem Phys. 2022. PMID: 36269074 Free PMC article. Review.
66 results