The Journal of Chemical Physics
Articles in this Issue
Temperature-dependent growth and orientation selection of ice on Au(111)
Although the structures of solid water on surfaces have been extensively studied, the role of deposition temperature in determining growth morphology and in-plane orientation remains unclear. In this...
Activity enhances transport while competing interactions preserve structure in colloidal microphase formers
Colloidal models with short-range attraction and long range repulsion (SALR) have been extensively studied using theoretical and simulations methods due to their rich and universal equilibrium phase b...
Active space selection with self-healing diffusion Monte Carlo algorithms for periodic solids
Multideterminant Diffusion Monte Carlo (DMC) displays improved accuracy over single determinant DMC. Self-Healing Diffusion Monte Carlo (SHDMC) is a DMC based method that iteratively improves a multid...
Liquid crystal theory of biomembranes
Biomembranes, which are primarily composed of lipid bilayers, are not merely passive barriers, but dynamic, complex materials whose shapes are governed by the principles of soft-matter physics. This r...
Dynamical arrest in colloidal monolayers induced by energy landscape
Using video microscopy, we experimentally investigate how a periodic potential landscape influences the dynamics of colloidal monolayers. The potential is generated by a layer of densely packed partic...
Projected-interacting full configuration interaction plus regularized perturbation theory: DFT-inspired wavefunction theory for huge active spaces
The computational design of molecular quantum devices requires methods that capture “the quantum and the chemistry,” approaching chemical accuracy for large numbers of entangled and/or strongly correl...
Methylation-controlled photophysical tuning in isolated acridine cations revealed by cryogenic fluorescence spectroscopy and TD-DFT
Acridine derivatives, such as proflavine, acriflavine, and acridine orange, have been used extensively in biology and biomedicine as fluorescent probes by forming DNA-intercalating complexes. This app...