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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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April 24 2025
Probing exciton diffusion dynamics in photosynthetic supercomplexes via exciton–exciton annihilation
Kunyan Zhang, Tsung-Yen Lee et al.
Photosynthesis converts solar energy into chemical energy through coordinated energy transfer between light-harvesting complexes and reaction centers (RCs). Understanding exciton motion, particularly ...
Research Article
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April 22 2025
Akinlade Akintunde, Parvin Bayati et al.
Single-file diffusion (SFD) is a key mechanism underlying transport phenomena in confined physical and biological systems. In a typical SFD process, microscopic particles are restricted to moving in ...
Research Article
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April 15 2025
Sandip Thakur, Ashutosh Giri
Owing to their unrivaled porosities and high surface areas, metal organic frameworks (MOFs) hold great promise for mitigating the global warming crisis through capturing and storing CO2 gas. However, ...
Editor's Picks
Research Article
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April 01 2025
Willem Gispen, Peter G. Bolhuis et al.
Two-step crystallization via a metastable intermediate phase is often regarded as a non-classical process that lies beyond the framework of classical nucleation theory (CNT). In this work, we ...
Perspective
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April 01 2025
Han Lu, Huan Li et al.
Electrocatalysis is one of the key technologies for developing sustainable and fossil resource free routes to produce fuels and chemicals. The limiting potential (UL), defined by the reaction free ...
Article Commentary
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April 01 2025
Most Recent
Research Article
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April 28 2025
Austėja Mikalčiūtė, Darius Abramavičius
The standard exciton theory used for describing spectroscopy of molecular complexes usually assumes an infinite exciton lifetime, coming from complete isolation of Hamiltonian blocks describing a ...
Research Article
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April 28 2025
Steffen Fauser, Egor Trushin et al.
The response function Kohn–Sham (KS) inversion method is employed to a set of 67 atoms and molecules to access the kinetic and potential energy contributions to the correlation energy, as well as the ...
Research Article
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April 28 2025
Hiromu Kobayashi, Yoshiki Ishii et al.
Anomalous intrinsic properties of bulk viscosity at normal states of simple liquids were revealed by molecular dynamics simulations, compared with shear viscosity and thermal conductivity. To this ...
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
CREST—A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, et al.