Search results
- 1.0539376 - MÚ 2022 RIV NL eng J - Journal Article
Yu, V. W. z. - Moussa, J. - Kůs, Pavel - Marek, A. - Messmer, P. - Yoon, M. - Lederer, H. - Blum, V.
GPU-acceleration of the ELPA2 distributed eigensolver for dense symmetric and hermitian eigenproblems.
Computer Physics Communications. Roč. 262, May (2021), č. článku 107808. ISSN 0010-4655. E-ISSN 1879-2944
Institutional support: RVO:67985840
Keywords : CUDA * dense linear algebra * eigensolver * high-performance computing * parallel computing
OECD category: Pure mathematics
Impact factor: 4.717, year: 2021
Method of publishing: Limited access
https://doi.org/10.1016/j.cpc.2020.107808
Permanent Link: http://hdl.handle.net/11104/0317067 - 2.0523807 - ÚOCHB 2021 RIV US eng J - Journal Article
Hourahine, B. - Aradi, B. - Blum, V. - Bonafe, F. - Buccheri, A. - Camacho, C. - Cevallos, C. - Deshaye, M. Y. - Dumitrica, T. - Dominguez, A. - Ehlert, S. - Elstner, M. - van der Heide, T. - Hermann, J. - Irle, S. - Jakowski, J. - Kranz, J. J. - Köhler, C. - Kowalczyk, T. - Kubař, T. - Lee, I. S. - Lutsker, V. - Maurer, R. J. - Min, S. K. - Mitchell, I. - Negre, C. - Niehaus, T. A. - Niklasson, A. M. N. - Page, A. J. - Pecchia, A. - Penazzi, G. - Persson, M. P. - Řezáč, Jan - Sánchez, C. G. - Sternberg, M. - Stöhr, M. - Stuckenberg, F. - Tkatchenko, A. - Yu, V. W. z. - Frauenheim, T.
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations.
Journal of Chemical Physics. Roč. 152, č. 12 (2020), č. článku 124101. ISSN 0021-9606. E-ISSN 1089-7690
Institutional support: RVO:61388963
Keywords : tight-binding method * referenced Kohn-Sham * large molecular systems
OECD category: Physical chemistry
Impact factor: 3.488, year: 2020
Method of publishing: Open access
https://aip.scitation.org/doi/10.1063/1.5143190
Permanent Link: http://hdl.handle.net/11104/0308099