On-device research index

arXiv research

A locally-built, LLM-digested index of recent arXiv papers in quant finance, geometry/topology, and statistical ML — keyword search served straight from SQLite on this machine.

169,051 papers · 148 categories

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2 results for “photodynamics”

Machine learning enables long time scale molecular photodynamics simulationsphysics.chem-ph

Machine learning speeds up molecular photodynamics simulations to nanosecond scales.

problem High cost of quantum chemistry limits accurate long time scale simulations.

method Use machine learning to predict electronic properties from molecular geometry.

result Machine learning algorithms can simulate photodynamics with higher efficiency and accuracy.

machine learning photodynamics molecular dynamics quantum chemistry neural networks

2018-11-22abs ↗pdf ↗

Combining SchNet and SHARC: The SchNarc machine learning approach for excited-state dynamicsphysics.chem-ph

SchNarc combines SchNet and SHARC for efficient photodynamics simulations.

problem Efficiently simulate excited-state dynamics of complex molecules.

method Combines SchNet for multiple electronic states with SHARC for molecular dynamics, learning energies, forces, and couplings.

result Paves the way for efficient photodynamics simulations of complex systems.

SchNet SHARC deep learning excited-state dynamics photochemistry

2020-02-17abs ↗pdf ↗