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Page 1
Recursive inverse factorization.
Rubensson EH, Bock N, Holmström E, Niklasson AM. Rubensson EH, et al. J Chem Phys. 2008 Mar 14;128(10):104105. doi: 10.1063/1.2884921. J Chem Phys. 2008. PMID: 18345875
Canonical density matrix perturbation theory.
Niklasson AM, Cawkwell MJ, Rubensson EH, Rudberg E. Niklasson AM, et al. Among authors: rubensson eh. Phys Rev E Stat Nonlin Soft Matter Phys. 2015 Dec;92(6):063301. doi: 10.1103/PhysRevE.92.063301. Epub 2015 Dec 2. Phys Rev E Stat Nonlin Soft Matter Phys. 2015. PMID: 26764847
Graph-based linear scaling electronic structure theory.
Niklasson AM, Mniszewski SM, Negre CF, Cawkwell MJ, Swart PJ, Mohd-Yusof J, Germann TC, Wall ME, Bock N, Rubensson EH, Djidjev H. Niklasson AM, et al. Among authors: rubensson eh. J Chem Phys. 2016 Jun 21;144(23):234101. doi: 10.1063/1.4952650. J Chem Phys. 2016. PMID: 27334148
Linear Scaling Pseudo Fermi-Operator Expansion for Fractional Occupation.
Mniszewski SM, Perriot R, Rubensson EH, Negre CFA, Cawkwell MJ, Niklasson AMN. Mniszewski SM, et al. Among authors: rubensson eh. J Chem Theory Comput. 2019 Jan 8;15(1):190-200. doi: 10.1021/acs.jctc.8b00887. Epub 2018 Dec 10. J Chem Theory Comput. 2019. PMID: 30452247
Quantum Perturbation Theory Using Tensor Cores and a Deep Neural Network.
Finkelstein J, Rubensson EH, Mniszewski SM, Negre CFA, Niklasson AMN. Finkelstein J, et al. Among authors: rubensson eh. J Chem Theory Comput. 2022 Jul 12;18(7):4255-4268. doi: 10.1021/acs.jctc.2c00274. Epub 2022 Jun 7. J Chem Theory Comput. 2022. PMID: 35670603
Quantum-Based Molecular Dynamics Simulations Using Tensor Cores.
Finkelstein J, Smith JS, Mniszewski SM, Barros K, Negre CFA, Rubensson EH, Niklasson AMN. Finkelstein J, et al. Among authors: rubensson eh. J Chem Theory Comput. 2021 Oct 12;17(10):6180-6192. doi: 10.1021/acs.jctc.1c00726. Epub 2021 Oct 1. J Chem Theory Comput. 2021. PMID: 34595916
20 results