1 citations · 2 across the 3 of their papers we have counts for
4 papers · 1 filter
Optimal Transport, Timesteppers, Newton-Krylov Methods and Steady States of Collective Particle Dynamics
Hannes Vandecasteele, Nicholas Karris, Alexander Cloninger +1
Timesteppers constitute a powerful tool in modern computational science and engineering. Although they are typically used to advance the system forward in time, they can also be vi…
Efficiency and Parameter Selection of a micro-macro Markov chain Monte Carlo method for molecular dynamics
Hannes Vandecasteele, Giovanni Samaey
We recently introduced a mM-MCMC scheme that is able to accelerate the sampling of Gibbs distributions when there is a time-scale separation between the complete molecular dynamics…
A micro-macro Markov chain Monte Carlo method for molecular dynamics using reaction coordinate proposals II: indirect reconstruction
Hannes Vandecasteele, Giovannni Samaey
We introduce a new micro-macro Markov chain Monte Carlo method (mM-MCMC) with indirect reconstruction to sample invariant distributions of molecular dynamics systems that exhibit a…
A micro-macro Markov chain Monte Carlo method for molecular dynamics using reaction coordinate proposals I: direct reconstruction
Hannes Vandecasteele, Giovanni Samaey
We introduce a new micro-macro Markov chain Monte Carlo method (mM-MCMC) to sample invariant distributions of molecular dynamics systems that exhibit a time-scale separation betwee…