206 citations · 559 across the 15 of their papers we have counts for
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physics.chem-ph2022★ 10 cited
Enhanced path sampling using subtrajectory Monte Carlo moves
Daniel T. Zhang, Enrico Riccardi, Titus S. van Erp
Path sampling allows the study of rare events like chemical reactions, nucleation and protein folding via a Monte Carlo (MC) exploration in path space. Instead of configuration poi…
physics.comp-ph2022★ 12 cited
Exchanging replicas with unequal cost, infinitely and permanently
Sander Roet, Daniel T. Zhang, Titus S. van Erp
We developed a replica exchange method that is effectively parallelizable even if the computational cost of the Monte Carlo moves in the parallel replicas are considerably differen…