Lv72
4516 积分 2020-12-17 加入
Sequence-based virtual screening using transformers
12天前
已完结
Unraveling learning characteristics of transformer models for molecular design
12天前
已完结
Ab Initio Perspectives on Surface Photocatalysis: Advances, Challenges, and Opportunities
14天前
已完结
Band Gap Narrowing in Lead-Halide Perovskites by Dynamic Defect Self-Doping for Enhanced Light Absorption and Energy Upconversion
14天前
已完结
Sub-bandgap charge harvesting and energy up-conversion in metal halide perovskites: ab initio quantum dynamics
14天前
已完结
Atomistic Origin of Microsecond Carrier Lifetimes at Perovskite Grain Boundaries: Machine Learning-Assisted Nonadiabatic Molecular Dynamics
14天前
已完结
Unsupervised Machine Learning in the Analysis of Nonadiabatic Molecular Dynamics Simulation
14天前
已完结
A Look Inside the Black Box of Machine Learning Photodynamics Simulations
14天前
已完结
Machine learning for electronically excited states of molecules
14天前
已完结
Machine learning for nonadiabatic molecular dynamics: best practices and recent progress
14天前
已完结
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