126 citations · 826 across the 40 of their papers we have counts for
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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…
Two-scale coupling for preconditioned Hamiltonian Monte Carlo in infinite dimensions
Nawaf Bou-Rabee, Andreas Eberle
We derive non-asymptotic quantitative bounds for convergence to equilibrium of the exact preconditioned Hamiltonian Monte Carlo algorithm (pHMC) on a Hilbert space. As a consequenc…
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.…
Sticky Brownian Motion and its Numerical Solution
Nawaf Bou-Rabee, Miranda Holmes-Cerfon
Sticky Brownian motion is the simplest example of a diffusion process that can spend finite time both in the interior of a domain and on its boundary. It arises in various applicat…