The Journal of Chemical Physics is an international journal that publishes cutting edge research in all areas of modern physical chemistry and chemical physics. The Journal also publishes brief communications of significant new findings, perspectives on the latest advances in the field, and Special Topics.
Transition path theory (TPT) offers a powerful formalism for extracting the rate and mechanism of rare dynamical transitions between metastable states. Most applications of TPT either focus on ...
The hydrophobic interaction, often combined with the hydrophilic or ionic interactions, makes the behavior of aqueous solutions very rich and plays an important role in biological systems. ...
In this paper, we analyze the properties of the recently proposed real-time equation-of-motion coupled-cluster (RT-EOM-CC) cumulant Green’s function approach [Rehr et al., J. Chem. Phys. 152 , ...
In a recent paper, Di Lisio et al. [J. Chem. Phys. 159 , 064505 (2023)] analyzed a series of temperature down-jumps using the single-parameter aging (SPA) ansatz combined with a specific assumption ...
Experimental demonstrations of modified chemical structure and reactivity under strong light–matter coupling have spurred theoretical and computational efforts to uncover underlying mechanisms. Ab ...
Molecular dynamics (MD) simulations based on detailed all-atom models offer a powerful approach to study the structure and dynamics of biological membranes. However, the complexity of biological ...
Physical vapor deposition can prepare organic glasses with high kinetic stability. When heated, these glassy solids slowly transform into supercooled liquid in a process known as rejuvenation. In ...
Water confined in nanoscale cavities plays a crucial role in everyday phenomena in geology and biology, as well as technological applications at the water–energy nexus. However, even understanding ...
Ernesto García-Alfonso, Francesco Ancilotto et al.
We study superfluid helium droplets multiply charged with Na+ or Ca+ ions. When stable, the charges are found to reside in equilibrium close to the droplet surface, thus representing a physical ...
