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3286 积分 2020-12-17 加入
Exciting DeePMD: Learning excited-state energies, forces, and non-adiabatic couplings
41分钟前
待确认
A-Cation-Dependent Excited State Charge Carrier Dynamics in Vacancy-Ordered Halide Perovskites: Insights from Computational and Machine Learning Models
46分钟前
已完结
Unsupervised Machine Learning in the Analysis of Nonadiabatic Molecular Dynamics Simulation
48分钟前
已完结
Ultrafast Dynamics in Spatially Confined Photoisomerization: Accelerated Simulations through Machine Learning Models
49分钟前
已完结
A-Cation-Dependent Excited State Charge Carrier Dynamics in Vacancy-Ordered Halide Perovskites: Insights from Computational and Machine Learning Models
50分钟前
已完结
Significant Impact of Defect Fluctuation on Charge Dynamics in CsPbI3: A Study Combining Machine Learning with Quantum Dynamics
51分钟前
已完结
Breaking the size limitation of nonadiabatic molecular dynamics in condensed matter systems with local descriptor machine learning
53分钟前
已完结
Nonadiabatic Dynamics in Two-Dimensional Perovskites Assisted by Machine Learned Force Fields
54分钟前
已完结
Photocatalytic activity of dual defect modified graphitic carbon nitride is robust to tautomerism: machine learning assisted ab initio quantum dynamics
55分钟前
已完结
Machine-Learned Kohn–Sham Hamiltonian Mapping for Nonadiabatic Molecular Dynamics
2小时前
已完结
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