3 papers
physics.comp-ph2026
An Always-Accepting Algorithm for Transition Path Sampling
Magdalena Häupl, Sebastian Falkner, Peter G. Bolhuis +2
We present a one-way shooting algorithm for transition path sampling that accepts every proposed trajectory, yet samples the correct transition path ensemble for systems with overd…
physics.chem-ph2025
Electrically driven first-order phase transition of a 2D ionic crystal at the electrode/electrolyte interface
Federica Angiolari, Alessandro Coretti, Mathieu Salanne +1
Liquid electrolytes adsorbed at the surface of metallic electrodes display a multitude of structures that can largely differ from the parent bulk system, both in terms of compositi…
physics.comp-ph2025
Revisiting Shooting Point Monte Carlo Methods for Transition Path Sampling
Sebastian Falkner, Alessandro Coretti, Baron Peters +2
Rare event sampling algorithms are essential for understanding processes that occur infrequently on the molecular scale, yet they are important for the long-time dynamics of comple…