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Extended Born-Oppenheimer molecular dynamics.
Niklasson AM. Niklasson AM. Phys Rev Lett. 2008 Mar 28;100(12):123004. doi: 10.1103/PhysRevLett.100.123004. Epub 2008 Mar 25. Phys Rev Lett. 2008. PMID: 18517861
Density matrix perturbation theory.
Niklasson AM, Challacombe M. Niklasson AM, et al. Phys Rev Lett. 2004 May 14;92(19):193001. doi: 10.1103/PhysRevLett.92.193001. Epub 2004 May 14. Phys Rev Lett. 2004. PMID: 15169398
Time-reversible Born-Oppenheimer molecular dynamics.
Niklasson AM, Tymczak CJ, Challacombe M. Niklasson AM, et al. Phys Rev Lett. 2006 Sep 22;97(12):123001. doi: 10.1103/PhysRevLett.97.123001. Epub 2006 Sep 18. Phys Rev Lett. 2006. PMID: 17025959
Sample preserving deep interface characterization technique.
Holmström E, Olovsson W, Abrikosov IA, Niklasson AM, Johansson B, Gorgoi M, Karis O, Svensson S, Schäfers F, Braun W, Ohrwall G, Andersson G, Marcellini M, Eberhardt W. Holmström E, et al. Among authors: niklasson am. Phys Rev Lett. 2006 Dec 31;97(26):266106. doi: 10.1103/PhysRevLett.97.266106. Epub 2006 Dec 29. Phys Rev Lett. 2006. PMID: 17280435
Time-reversible ab initio molecular dynamics.
Niklasson AM, Tymczak CJ, Challacombe M. Niklasson AM, et al. J Chem Phys. 2007 Apr 14;126(14):144103. doi: 10.1063/1.2715556. J Chem Phys. 2007. PMID: 17444697
67 results