27 citations · 30 across the 4 of their papers we have counts for
4 papers
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…
Efficient Quantum Simulation of Non-Adiabatic Molecular Dynamics with Precise Electronic Structure
Tianyi Li, Yumeng Zeng, Qiming Ding +6
In the study of non-adiabatic chemical processes such as photocatalysis and photosynthesis, non-adiabatic molecular dynamics (NAMD) is an indispensable theoretical tool, which requ…
Quantum computation of conical intersections on a programmable superconducting quantum processor
Shoukuan Zhao, Diandong Tang, Xiaoxiao Xiao +7
Conical intersections (CIs) are pivotal in many photochemical processes. Traditional quantum chemistry methods, such as the state-average multi-configurational methods, face comput…
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…