148 citations · 1.1k across the 66 of their papers we have counts for
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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…
Madelung transform and variational asymptotics in Born-Oppenheimer molecular dynamics
Paul Bergold, Cesare Tronci
While Born-Oppenheimer molecular dynamics (BOMD) has been widely studied by resorting to powerful methods in mathematical analysis, this paper presents a geometric formulation in t…
Lagrangian trajectories and closure models in mixed quantum-classical dynamics
Cesare Tronci, François Gay-Balmaz
Mixed quantum-classical models have been proposed in several contexts to overcome the computational challenges of fully quantum approaches. However, current models typically suffer…
Koopman wavefunctions and classical states in hybrid quantum-classical dynamics
François Gay-Balmaz, Cesare Tronci
We deal with the reversible dynamics of coupled quantum and classical systems. Based on a recent proposal by the authors, we exploit the theory of hybrid quantum-classical wavefunc…
From quantum hydrodynamics to Koopman wavefunctions I
François Gay-Balmaz, Cesare Tronci
Based on Koopman's theory of classical wavefunctions in phase space, we present the Koopman-van Hove (KvH) formulation of classical mechanics as well as some of its properties. In…
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…