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physics.chem-ph2026
Fewest-Switches Surface Hopping with Combined Deep Learning Potential and Long Short-Term Memory Network Propagator for Simulating Realistic Photochemical Processes
Zhenxing Zhu, Diandong Tang, Lin Shen +1
Fewest-switches surface hopping (FSSH) is the most popular method for simulating photochemical processes of molecular systems. Recently, we have constructed long short-term memory…
physics.chem-ph2022★ 27 cited
Fewest-Switches Surface Hopping with Long Short-Term Memory Networks
Diandong Tang, Luyang Jia, Lin Shen +1
The mixed quantum-classical dynamical simulation is essential to study nonadiabatic phenomena in photophysics and photochemistry. In recent years, many machine learning models have…