Publications

We introduce a new micro-macro Markov chain Monte Carlo method to sample invariant distributions of molecular dynamics systems that exhibit a time-scale separation between the microscopic (fast) dynamics, and the macroscopic (slow) dynamics of some low-dimensional set of reaction coordinates. The algorithm enhances exploration of the state space in the presence of metastability by allowing larger proposed moves at the macroscopic level, on which ...

Neutral gas physics and neutral interactions with the plasma are key aspects of edge plasma and divertor physics in a fusion reactor including the detachment phenomenon often seen as key to dealing with the power exhaust challenges. A full physics description of the neutral gas dynamics requires a 6D kinetic approach, potentially time dependent, where the details of the wall geometry play a substantial role, to the extent that, e.g., the ...