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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
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September 19 2023
Meng Li, Preetika Karnal et al.
Cutting of soft materials is a complex problem, which is still not well understood at the fundamental level, especially for soft materials. The cutting process we consider is slicing, which starts ...
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September 15 2023
Nikita Fedik, Benjamin Nebgen et al.
Catalyzed by enormous success in the industrial sector, many research programs have been exploring data-driven, machine learning approaches. Performance can be poor when the model is extrapolated to ...
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September 12 2023
Gábor Csányi, John W. R. Morgan et al.
In this contribution, we employ computational tools from the energy landscape approach to test Gaussian Approximation Potentials (GAPs) for C60. In particular, we apply basin-hopping global ...
Editor's Picks
Research Article
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September 19 2023
Lisa Sappl, Christos N. Likos et al.
The simulation of polymer solutions often requires the development of methods that accurately include hydrodynamic interactions. Resolution on the atomistic scale is too computationally expensive to ...
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September 19 2023
Alberto Giacomello
The liquid-to-vapor transition can occur under unexpected conditions in nanopores, opening the door to fundamental questions and new technologies. The physics of boiling in confinement is ...
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September 15 2023
Zhiqiang Shen, Jan-Michael Y. Carrillo et al.
The collective density–density and hydrostatic pressure–pressure correlations of glass-forming liquids are spatiotemporally mapped out using molecular dynamics simulations. It is shown that the sharp ...
Most Recent
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September 26 2023
Ernest Opoku, Filip Pawłowski et al.
A new generation of diagonal self-energies for the calculation of electron removal energies of molecules and molecular ions that has superseded its predecessors with respect to accuracy, efficiency, ...
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September 26 2023
K. Miyazaki, N. Ananth
We simulate the nonadiabatic dynamics of photo-induced isomerization and dissociation in ethylene using ab initio classical trajectories in an extended phase space of nuclear and electronic ...
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September 26 2023
Aleksei A. Anisimov, Ivan V. Ananyev
A new approach for obtaining interacting quantum atoms-defined components of binding energy of intermolecular interactions, which bypasses the use of standard six-dimensional integrals and ...
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