20 citations · 37 across the 11 of their papers we have counts for
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Koopmon trajectories in nonadiabatic quantum-classical dynamics
Werner Bauer, Paul Bergold, François Gay-Balmaz +1
In order to alleviate the computational costs of fully quantum nonadiabatic dynamics, we present a mixed quantum-classical (MQC) particle method based on the theory of Koopman wave…
Lie-Poisson Neural Networks (LPNets): Data-Based Computing of Hamiltonian Systems with Symmetries
Christopher Eldred, François Gay-Balmaz, Sofiia Huraka +1
An accurate data-based prediction of the long-term evolution of Hamiltonian systems requires a network that preserves the appropriate structure under each time step. Every Hamilton…
Complex fluid models of mixed quantum-classical dynamics
François Gay-Balmaz, Cesare Tronci
Several methods in nonadiabatic molecular dynamics are based on Madelung's hydrodynamic description of nuclear motion, while the electronic component is treated as a finite-dimensi…