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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.
Featured Articles
Research Article
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January 08 2025
Jia-Xin Zhu, Jun Cheng et al.
The dielectric constant, although a simplified concept when considering atomic scales, enters many mean-field, electrochemical interface models and constant potential models as an important ...
Research Article
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January 02 2025
Zeke A. Piskulich, Qiang Cui
The computational spectroscopy of water has proven to be a powerful tool for probing the structure and dynamics of chemical systems and for providing atomistic insight into experimental vibrational ...
Editorial
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December 26 2024
Mischa Bonn, James T. Hynes
Editor's Picks
Research Article
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December 16 2024
Ali Eltareb, Bibi A. Khan et al.
We perform classical molecular dynamics (MD) and path-integral MD (PIMD) simulations of H2O and D2O using the q-TIP4P/F model over a wide range of temperatures and pressures to study the nuclear ...
Research Article
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December 13 2024
Yee-Kwong Leong, Peta Clode
Salt strengthened the bond formed and quickened the bonding process of 3–5 wt. % hectorite gels during the structural rejuvenation process. This even occurred at 0.002M KCl. Microstructure showed ...
Research Article
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November 20 2024
Tina Hecksher, Kristine Niss
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 ...
Most Recent
Research Article
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January 14 2025
Daniel Gómez Bustos, Sreeprasad Sreenivasan et al.
This study investigates the impact of structural isomerism on the excited state lifetime and redox energetics of heteroleptic [Ir(ppy)2(bpy)]+ and homoleptic Ir(ppy)3 photoredox catalysts using ...
Research Article
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January 14 2025
Darin E. Mihalik, R. Wang et al.
We present an algorithm that combines quantum scattering calculations with probabilistic machine-learning models to predict quantum dynamics rate coefficients for a large number of state-to-state ...
Research Article
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January 10 2025
Arianna Rodriguez, Jiande Han et al.
Electronic spectra for OThF have been recorded using fluorescence excitation and two-photon resonantly enhanced ionization techniques. Multiple vibronic bands were observed in the 340–460 nm range. ...
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
Beyond the Debye–Hückel limit: Toward a general theory for concentrated electrolytes
Mohammadhasan Dinpajooh, Nadia N. Intan, et al.