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Dimension-free path-integral molecular dynamics without preconditioning.
J Chem Phys. 2020 Mar 14;152(10):104102. doi: 10.1063/1.5134810.
J Chem Phys. 2020.
PMID: 32171215
A generalized class of strongly stable and dimension-free T-RPMD integrators.
Rosa-Raíces JL, Sun J, Bou-Rabee N, Miller TF 3rd.
Rosa-Raíces JL, et al. Among authors: bou rabee n.
J Chem Phys. 2021 Jan 14;154(2):024106. doi: 10.1063/5.0036954.
J Chem Phys. 2021.
PMID: 33445902
Free PMC article.
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Cayley modification for strongly stable path-integral and ring-polymer molecular dynamics.
Korol R, Bou-Rabee N, Miller TF 3rd.
Korol R, et al. Among authors: bou rabee n.
J Chem Phys. 2019 Sep 28;151(12):124103. doi: 10.1063/1.5120282.
J Chem Phys. 2019.
PMID: 31575166
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