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cond-mat.stat-mech2026
Multi-Resolution Wire-Fencing for Efficient Path Sampling
Simen Z. Stenersen Michler, Lukas Baldauf, Titus S. van Erp
Path sampling methods enable the computation of thermodynamic and kinetic properties through Monte Carlo (MC) moves that generate trajectories from short forward and backward molec…
physics.chem-ph2026
Generalized Path Reweighting and History-Dependent Free Energies
Titus S. van Erp, Daniel T. Zhang, Elias Wils +2
Transition interface sampling (TIS) and replica exchange TIS (RETIS) are powerful methods for computing rates of rare events inaccessible to straightforward molecular dynamics (MD)…