1 citations · 1 across the 5 of their papers we have counts for
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Learning multistate kinetics with a variational multistate committor network
Chenyu Tang, Cheng Giuseppe Chen, Benoît Roux +1
The long-time dynamics of complex molecular systems often involves rare transitions across networks of metastable states. Building on transition-path theory, which provides a rigor…
A self-adaptive tube restraint for free-energy calculations along path collective variables
Radu A. Talmazan, Cheng Giuseppe Chen, Chenyu Tang +1
Path collective variables (PCVs) reduce a high-dimensional transition to a progress coordinate, s, and an orthogonal distance, z. Computing the free energy along s often requires r…
Excited-state nonadiabatic dynamics in explicit solvent using machine learned interatomic potentials
Maximilian X. Tiefenbacher, Brigitta Bachmair, Cheng Giuseppe Chen +4
Excited-state nonadiabatic simulations with quantum mechanics/molecular mechanics (QM/MM) are essential to understand photoinduced processes in explicit environments. However, the…