62 citations · 198 across the 5 of their papers we have counts for
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physics.chem-ph2019★ 51 cited
Dimension-free path-integral molecular dynamics without preconditioning
Roman Korol, Jorge L. Rosa-Raíces, Nawaf Bou-Rabee +1
Convergence with respect to imaginary-time discretization is an essential part of any path-integral-based calculation. However, an unfortunate property of existing non-precondition…
physics.chem-ph2019★ 62 cited
Cayley modification for strongly stable path-integral and ring-polymer molecular dynamics
Roman Korol, Nawaf Bou-Rabee, Thomas F. Miller
Path-integral-based molecular dynamics (MD) simulations are widely used for the calculation of numerically exact quantum Boltzmann properties and approximate dynamical quantities.…