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Current Issue
Volume 162,
Issue 4,
28 January 2025

Focus and Coverage

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.

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Editor's Picks
Research Article
Solmaz Azimi, Emilio Gallicchio
We present an analytical description of the Alchemical Transfer Method (ATM) for molecular binding using the Potential Distribution Theory (PDT) formalism. ATM models the binding free energy by ...
Research Article
Peter Hamm
First steps toward a molecular dynamics (MD) implementation in a cluster of field-programmable gate arrays (FPGAs) are presented, reaching a simulation speed of a few microseconds/day. The nodes in ...
Research Article
Patrick G. Sahrmann, Gregory A. Voth
Bottom-up coarse-grained (CG) modeling is an effective means of bypassing the limited spatiotemporal scales of conventional atomistic molecular dynamics while retaining essential information from the ...
Most Recent
Research Article
Mónica K. Espinoza Cangahuala, Sundar Raj Krishnaswamy et al.
Self-assembling amphiphilic cyanine dyes, such as C8S3, are promising candidates for energy storage and optoelectronic applications due to their efficient energy transport properties. C8S3 is known ...
Research Article
Tatsuma Oishi, Yusuke Koide et al.
Reverse nonequilibrium molecular dynamics (RNEMD) simulations impose a flux by swapping the velocities of two particles. This method allows for the calculation of transport coefficients, such as ...
Research Article
Abdul Rashid Umar, Christopher Grieco
Charge conductivity in conducting polymers is typically improved by increasing carrier density via chemical oxidation. However, the resulting electrostatic stabilization of the carriers by the dopant ...
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