The Journal of Chemical Physics

Dynamics of quantum–classical systems in nonequilibrium environments

The dynamics of a quantum system coupled to a classical environment and subject to constraints that drive it out of equilibrium are described. The evolution of the system is governed by the quantum–cl...

Comment on “Microcanonical treatment of HCl dissociative chemisorption on Au(111): Reactive dampening through inefficient translational energy coupling and an active surface” [J. Chem. Phys. 160, 084702 (2024)]

Simulating nonadiabatic dynamics in benzophenone: Tracing internal conversion through photoelectron spectra

Benzophenone serves as a prototype chromophore for studying the photochemistry of aromatic ketones, with applications ranging from biochemistry to organic light-emitting diodes. In particular, its int...

Hidden asymmetry in one-dimensional alignment of chiral molecules

We studied the inversion symmetry of an ensemble of chiral molecules. We clarified that for rigid molecules aligned by dipole transitions, the positions of any two atoms depend on the molecular chiral...

Response to “Comment on ‘Microcanonical treatment of HCl dissociative chemisorption on Au(111): Reactive dampening through inefficient translational energy coupling and an active surface’” [J. Chem. Phys. 162, 087101 (2025)]