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…
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…
A new canonical affine BRACKET formulation of Hamiltonian Classical Field theories of first order
François Gay-balmaz, Juan C. Marrero, Nicolás Martínez
It has been a long standing question how to extend the canonical Poisson bracket formulation from classical mechanics to classical field theories, in a completely general, intrinsi…
Evolution of hybrid quantum-classical wavefunctions
François Gay-Balmaz, Cesare Tronci
A gauge-invariant wave equation for the dynamics of hybrid quantum-classical systems is formulated by combining the variational setting of Lagrangian paths in continuum theories wi…
From quantum hydrodynamics to Koopman wavefunctions II
Cesare Tronci, François Gay-Balmaz
Based on the Koopman-van Hove (KvH) formulation of classical mechanics introduced in Part I, we formulate a Hamiltonian model for hybrid quantum-classical systems. This is obtained…
Multisymplectic variational integrators for barotropic and incompressible fluid models with constraints
François Demoures, François Gay-Balmaz
We present a structure preserving discretization of the fundamental spacetime geometric structures of fluid mechanics in the Lagrangian description in 2D and 3D. Based on this, mul…