20 citations · 37 across the 11 of their papers we have counts for
11 papers
Quantum-classical solvation hydrodynamics: a Hamiltonian modeling framework
François Gay-Balmaz, Cesare Tronci
We propose a mixed quantum-classical hydrodynamic framework to model short-time inertial effects in the non-adiabatic evolution of a quantum solute coupled to a classical polar sol…
Variational formulation of stochastic thermodynamics: Finite-dimensional systems
Héctor Vaquero del Pino, François Gay-Balmaz, Hiroaki Yoshimura +1
In this paper, we develop a variational foundation for stochastic thermodynamics of finite-dimensional, continuous-time systems. Requiring the second law (non-negative average tota…
A Variational Principle for Extended Irreversible Thermodynamics: Heat Conducting Viscous Fluids
François Gay-Balmaz
Extended irreversible thermodynamics is a theory that expands the classical framework of nonequilibrium thermodynamics by going beyond the local-equilibrium assumption. A notable e…
Entropy functionals and equilibrium states in mixed quantum-classical dynamics
Cesare Tronci, David Martínez-Crespo, François Gay-Balmaz
The computational challenges posed by many-particle quantum systems are often overcome by mixed quantum-classical (MQC) models in which certain degrees of freedom are treated as cl…
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…