The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics.
Direct insights into physico-chemical processes that underlie the performance of functional materials require characterization under relevant real-world conditions while the processes occur. Measurements of model systems under readily accessible ambient…
Gels assembled from dispersed colloids have garnered interest as functional materials due to their potential to retain distinctive, single-colloid properties combined with tunable, structure-dependent collective behavior. This Special Topic will…
Semiempirical electronic structure methods drastically approximate or neglect interactions and are among the fastest quantum chemical approaches. They encompass tight-binding methods used by the condensed matter physicists and semiempirical molecular…
This special issue will cover recent advances in the modeling and understanding of allostery, the structural and dynamical coupling between distant sites of a biological macromolecule. While this topic has…
Coherent two-dimensional infrared (2D IR) spectroscopy was first demonstrated by Hamm, Lim, and Hochstrasser in 1998 as a frequency resolved “pump probe” technique to probe molecular structure and dynamics on…
Nucleation is a ubiquitous phenomenon in technology and the natural world. It plays key roles in geology, across chemistry, physics, and biology and on to industrial processes like the setting…
The application of machine-learning techniques to atomistic modeling of physics, chemistry and materials science is blooming, and machine learning is becoming an integral part of the toolbox of molecular simulations.…
Understanding the chemical physics of electrochemical energy materials is the key to improving the performance of energy storage and conversion devices such as batteries, fuel cells, electrolyzers, and supercapacitors. It…
The 2022 JCP Emerging Investigators Special Collection is a highly selective collection of JCP papers by emerging investigators encompassing the entire scope of the journal. The papers accepted into the…
The push towards exascale computing hardware has led to supercomputers with remarkable computing capacity. At the same time, there are also dramatic increases in the computing power of single workstations,…
In recent years, novel developments have significantly advanced our understanding of surface wettability and liquid repellency. Controlled wetting allows the manipulation of liquids and solids on macroscopic length scales based…
It was 40 years ago that the report of quantum confinement in colloidal nanocrystals first appeared in the Journal of Chemical Physics, authored by Rossetti, Nakahara, and Brus (J. Chem.…
Machine learning (ML) is changing the way we approach molecular simulations. By translating ab-initio calculations into neural networks, it is possible to reach sizes and time scales not possible before…