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Modulus-pressure equation for confined fluids.
Gor GY, Siderius DW, Shen VK, Bernstein N. Gor GY, et al. Among authors: bernstein n. J Chem Phys. 2016 Oct 28;145(16):164505. doi: 10.1063/1.4965916. J Chem Phys. 2016. PMID: 27802643 Free PMC article.
QM/MM simulation of liquid water with an adaptive quantum region.
Bernstein N, Várnai C, Solt I, Winfield SA, Payne MC, Simon I, Fuxreiter M, Csányi G. Bernstein N, et al. Phys Chem Chem Phys. 2012 Jan 14;14(2):646-56. doi: 10.1039/c1cp22600b. Epub 2011 Nov 16. Phys Chem Chem Phys. 2012. PMID: 22089416
Molecular dynamics at constant Cauchy stress.
Miller RE, Tadmor EB, Gibson JS, Bernstein N, Pavia F. Miller RE, et al. Among authors: bernstein n. J Chem Phys. 2016 May 14;144(18):184107. doi: 10.1063/1.4948711. J Chem Phys. 2016. PMID: 27179471
ACEpotentials.jl: A Julia implementation of the atomic cluster expansion.
Witt WC, van der Oord C, Gelžinytė E, Järvinen T, Ross A, Darby JP, Ho CH, Baldwin WJ, Sachs M, Kermode J, Bernstein N, Csányi G, Ortner C. Witt WC, et al. Among authors: bernstein n. J Chem Phys. 2023 Oct 28;159(16):164101. doi: 10.1063/5.0158783. J Chem Phys. 2023. PMID: 37870138
232 results