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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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October 03 2024
Zachary M. Faitz, Dasol Im et al.
Action spectroscopies use a readout created by the action of light on the molecules or material rather than optical absorption. Ultrafast 2D photocurrent and 2D fluorescence spectroscopies are two ...
Research Article
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September 27 2024
Yuyao Yang, Ruoqi Zhao et al.
The nitrile (C≡N) stretching vibration is widely used as a site-specific environmental probe of proteins and, as such, many computational studies have been used to investigate the factors that affect ...
Rapid Communication
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September 25 2024
Heonjae Jeong, Edmund G. Seebauer
Injection of interstitial atoms by specially prepared surfaces submerged in liquid water near room temperature offers an attractive approach for post-synthesis defect manipulation and isotopic ...
Editor's Picks
Rapid Communication
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October 03 2024
Pablo Montero de Hijes, Christoph Dellago et al.
We investigate the density isobar of water and the melting temperature of ice using six different density functionals. Machine-learning potentials are employed to ensure computational affordability. ...
Research Article
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October 02 2024
Aojie Xue, Jiahao Xu et al.
Finite size scaling for a first order phase transition, where a continuous symmetry is broken, is tested using an approximation of Gaussian probability distributions with a phenomenological ...
Rapid Communication
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October 01 2024
Rinipal Kaur, Abigail Ladau et al.
Chemical and physical processes on the surfaces of amorphous solids have been the focus of many studies over the past decades. These studies have established that dynamics in a thin layer near a ...
Most Recent
Research Article
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October 04 2024
Riccardo Farris, Konstantin M. Neyman et al.
The energetically most favorable chemical ordering of bimetallic nanoparticles can be characterized by combining global optimization algorithms and surrogate energy models. The latter approximate the ...
Research Article
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October 04 2024
Michelle Richer, Gabriela Sánchez-Díaz et al.
PyCI is a free and open-source Python library for setting up and running arbitrary determinant-driven configuration interaction (CI) computations, as well as their generalizations to cases where the ...
Research Article
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October 04 2024
Katherine M. Kidder, W. G. Noid
Low-resolution coarse-grained (CG) models provide significant computational and conceptual advantages for simulating soft materials. However, the properties of CG models depend quite sensitively upon ...
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
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