2 papers
physics.chem-ph2026
Fast and accurate committor estimation for kinetics simulations
Ru Wang, Xiaojun Ji, Hao Wang +1
Computing long-timescale kinetics of biomolecular processes remains a major challenge for atomistic simulations. A way out is to exploit local kinetic information to construct the…
physics.chem-ph2024
Milestoning network refinement by incorporating experimental thermodynamic and kinetic data
Xiaojun Ji, Hao Wang, Wenjian Liu
Milestoning is an accurate and efficient method for rare event kinetics calculations by constructing a continuous-time kinetic network connecting the reactant and product states. H…