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Dielectric profile at the Pt(111)/water interface
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ARTICLES
Theoretical Methods and Algorithms
CG modeling of nucleosome arrays reveals the salt-dependent chromatin fiber conformational variability
In Special Collection:
Chromatin Structure and Dynamics: Recent Advancements
J. Chem. Phys. 162, 024101 (2025)
https://doi.org/10.1063/5.0242509
Open-boundary molecular dynamics of ultrasound using supramolecular water models
In Special Collection:
Molecular Dynamics, Methods and Applications 60 Years after Rahman
J. Chem. Phys. 162, 024103 (2025)
https://doi.org/10.1063/5.0238348
Machine learning accelerated nonadiabatic dynamics simulations of materials with excitonic effects
J. Chem. Phys. 162, 024105 (2025)
https://doi.org/10.1063/5.0248228
Thermostat-induced artificial lane formation in non-equilibrium molecular dynamics
J. Chem. Phys. 162, 024106 (2025)
https://doi.org/10.1063/5.0242809
Work-biased path-sampling calculations of chemical potentials: Principles and applications to uranium oxide
In Special Collection:
Monte Carlo methods, 70 years after Metropolis et al. (1953)
Orane Barbour; Jean-Paul Crocombette; Theo Beigbeder; Julien Tranchida; Emeric Bourasseau; Manuel Athènes
J. Chem. Phys. 162, 024108 (2025)
https://doi.org/10.1063/5.0229575
Multidimensional quantum dynamics with explicitly correlated Gaussian wave packets using Rothe’s method
J. Chem. Phys. 162, 024109 (2025)
https://doi.org/10.1063/5.0247732
Restoring rotational symmetry of multicomponent wavefunctions with nuclear orbitals
J. Chem. Phys. 162, 024110 (2025)
https://doi.org/10.1063/5.0244318
Phase boundaries promote chemical reactions through localized fluxes
J. Chem. Phys. 162, 024112 (2025)
https://doi.org/10.1063/5.0242782
Pair approximating the action for molecular rotations in path integral Monte Carlo
J. Chem. Phys. 162, 024113 (2025)
https://doi.org/10.1063/5.0246327
Cluster perturbation theory. XI. Excitation-energy series using a variational excitation-energy function
Andreas Erbs Hillers-Bendtsen; Magnus Bukhave Johansen; Theo Juncker von Buchwald; Kurt V. Mikkelsen; Jeppe Olsen; Poul Jørgensen; Trygve Helgaker
J. Chem. Phys. 162, 024114 (2025)
https://doi.org/10.1063/5.0236908
Advanced Experimental Techniques
Atoms, Molecules, and Clusters
Progress in understanding the infrared spectrum of the H2O–O2 dimer
J. Chem. Phys. 162, 024302 (2025)
https://doi.org/10.1063/5.0249338
Electric dipole moment of excited octupolar molecules: Potential qubit implementation
J. Chem. Phys. 162, 024303 (2025)
https://doi.org/10.1063/5.0243375
Atomistic dynamics of elimination and substitution driven by entrance channel
J. Chem. Phys. 162, 024304 (2025)
https://doi.org/10.1063/5.0245151
Electronic spectroscopy and excited state mixing of OThF
J. Chem. Phys. 162, 024305 (2025)
https://doi.org/10.1063/5.0245862
Liquids, Glasses, and Crystals
The bcc coating of Lennard-Jones crystal nuclei vanishes with a change of local structure detection algorithm
In Special Collection:
Molecular Dynamics, Methods and Applications 60 Years after Rahman
J. Chem. Phys. 162, 024502 (2025)
https://doi.org/10.1063/5.0239424
Dynamical properties of hydrogen fluid at high pressures
In Special Collection:
Molecular Dynamics, Methods and Applications 60 Years after Rahman
J. Chem. Phys. 162, 024504 (2025)
https://doi.org/10.1063/5.0236394
Molecular engineering charge transfer and triplet exciton formation in donor–acceptor cocrystals
In Special Collection:
Dynamic Exciton for Materials, Biology and Energy Conversion
Malik L. Williams; Jonathan R. Palmer; Samuel B. Tyndall; Yizhe Chen; Ryan M. Young; Antonio J. Garzon-Ramirez; Roel Tempelaar; Michael R. Wasielewski
J. Chem. Phys. 162, 024505 (2025)
https://doi.org/10.1063/5.0243900
Materials, Surfaces, and Interfaces
Biodegradable Tenebrio molitor antifreeze protein modified kinetic hydrate inhibitor: Insights into molecular interactions and structural flexibility
In Special Collection:
Molecular Dynamics, Methods and Applications 60 Years after Rahman
J. Chem. Phys. 162, 024701 (2025)
https://doi.org/10.1063/5.0245132
Dielectric profile at the Pt(111)/water interface
In Special Collection:
2024 JCP Emerging Investigators Special Collection
J. Chem. Phys. 162, 024702 (2025)
https://doi.org/10.1063/5.0239284
Modeling ethanol/water adsorption in all-silica zeolites using the real adsorbed solution theory
J. Chem. Phys. 162, 024703 (2025)
https://doi.org/10.1063/5.0230109
Polymers and Soft Matter
Nanoscale self-assembly and water retention properties of silk fibroin–riboflavin hydrogel
In Special Collection:
Molecular Dynamics, Methods and Applications 60 Years after Rahman
J. Chem. Phys. 162, 024901 (2025)
https://doi.org/10.1063/5.0226300
Phase transitions in chromatin: Mesoscopic and mean-field approaches
In Special Collection:
Chromatin Structure and Dynamics: Recent Advancements
J. Chem. Phys. 162, 024902 (2025)
https://doi.org/10.1063/5.0236019
Biological Molecules and Networks
Thermodynamics of nucleosome breathing and positioning
In Special Collection:
Chromatin Structure and Dynamics: Recent Advancements
J. Chem. Phys. 162, 025101 (2025)
https://doi.org/10.1063/5.0245457
LETTERS TO THE EDITOR
Notes
Anion photoelectron velocity-map imaging using a tunable laser at a 100 kHz repetition rate
J. Chem. Phys. 162, 026101 (2025)
https://doi.org/10.1063/5.0245252
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.
Freezing point depression of salt aqueous solutions using the Madrid-2019 model
Cintia P. Lamas, Carlos Vega, et al.