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20202026
most citedExcited state, non-adiabatic dynamics of large photoswitchable molecules using a chemically transferable machine learning potential

94 citations · 274 across the 10 of their papers we have counts for

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Showing 2023 · physics.comp-phShow all

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physics.comp-ph2023★ 54 cited

Accurate Computation of Quantum Excited States with Neural Networks

David Pfau, Simon Axelrod, Halvard Sutterud +2

We present a variational Monte Carlo algorithm for estimating the lowest excited states of a quantum system which is a natural generalization of the estimation of ground states. Th…