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Machine Learning Photodynamics Uncover Blocked Non-Radiative Mechanisms in Aggregation-Induced Emission
Jun 21 2024
Theoretical Design and Working Mechanism Study of Efficient Light-Driven Molecular Motors
Jun 7 2024
Excited-State Electronic Structure Theory and Non-adiabatic Dynamics in Complex Systems
May 17 2024
Highly Efficient Global Optimization Method FGO and Its Application in Nanoclusters
May 10 2024
Quantum Decoherence and Quantum-Classical Correlation
May 10 2024
Deciphering the Acceleration Mechanisms of Organic Reactions in Microdroplets
Apr 26 2024
Elucidating the Dynamics of Proteins During Folding and Catalysis from Molecular Simulations
Jan 19 2024
Electronic Processes in Molecular Aggregates
Dec 19 2023
CAM-B3LYP Delivers Substantial Improvements to DFT and G0W0 Predictions of Bandgap and Spectroscopic Properties of 2D and 3D Materials
Dec 15 2023
Exciton Dynamics and Spectroscopy of Natural Light Harvesting (Super) Complexes
Dec 8 2023
Understanding Fundamental Chemical Reactivity: Collisions, Photons and Quantum Dynamics Simulations
Dec 1 2023
Theoretical Study of Spin-Changing Processes in Photodynamic Therapy
Nov 10 2023
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