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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: bock n. J Chem Phys. 2016 Jun 21;144(23):234101. doi: 10.1063/1.4952650. J Chem Phys. 2016. PMID: 27334148
Recursive inverse factorization.
Rubensson EH, Bock N, Holmström E, Niklasson AM. Rubensson EH, et al. Among authors: bock n. J Chem Phys. 2008 Mar 14;128(10):104105. doi: 10.1063/1.2884921. J Chem Phys. 2008. PMID: 18345875
Extended Lagrangian Born-Oppenheimer molecular dynamics with dissipation.
Niklasson AM, Steneteg P, Odell A, Bock N, Challacombe M, Tymczak CJ, Holmström E, Zheng G, Weber V. Niklasson AM, et al. Among authors: bock n. J Chem Phys. 2009 Jun 7;130(21):214109. doi: 10.1063/1.3148075. J Chem Phys. 2009. PMID: 19508058 Free article.
Extended Lagrangian free energy molecular dynamics.
Niklasson AM, Steneteg P, Bock N. Niklasson AM, et al. Among authors: bock n. J Chem Phys. 2011 Oct 28;135(16):164111. doi: 10.1063/1.3656977. J Chem Phys. 2011. PMID: 22047232
Improved model for the transit entropy of monatomic liquids.
Wallace DC, Chisolm ED, Bock N. Wallace DC, et al. Among authors: bock n. Phys Rev E Stat Nonlin Soft Matter Phys. 2009 May;79(5 Pt 1):051201. doi: 10.1103/PhysRevE.79.051201. Epub 2009 May 20. Phys Rev E Stat Nonlin Soft Matter Phys. 2009. PMID: 19518441
288 results