The Journal of Chemical Physics
Articles in this Issue
Asymmetric hydrophilic/hydrophobic nanoconfinement directs novel two-dimensional ice structures and phase transitions
Understanding the phase and dynamic behaviors of nanoconfined water is of critical importance for both fundamental scientific research and technological applications. Although numerous studies have in...
High-precision quantum dynamics of He2 over the b 3Πg–c 3Σg+ electronic subspace by including non-adiabatic, relativistic, and QED corrections and couplings
Relativistic, quantum electrodynamics, and non-adiabatic corrections and couplings are computed for the b 3Πg and c3Σg+ electronic states of the helium dimer. The underlying Born–Oppenheimer potential...
Note: Improved boundary homogenization for a sphere with an absorbing cap of arbitrary size
Finding accurate approximations for the effective reactivity of a structured spherical target with a circular absorbing patch of arbitrary size is a long-standing problem in chemical physics. In this...
Study of concentration dependent microstructures and dynamic behaviors of aqueous CaCl2 solutions via deep potential with electrostatic interactions
Salt solutions have long been a subject of scientific interest owing to their significant role in various applications. Despite advances in experimental techniques and simulation methods, contradictio...