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Computing equilibrium free energies through a nonequilibrium quench
ARTICLES
Theoretical Methods and Algorithms
Energy stable scheme for random batch molecular dynamics
J. Chem. Phys. 160, 034101 (2024)
https://doi.org/10.1063/5.0187108
A Gaussian field approach to the solvation of spherical ions in electrolyte solutions
J. Chem. Phys. 160, 034102 (2024)
https://doi.org/10.1063/5.0187141
Open-boundary cluster model with a parameter-free complex absorbing potential
J. Chem. Phys. 160, 034103 (2024)
https://doi.org/10.1063/5.0184571
Investigating the dissipation of heat and quantum information from DNA-scaffolded chromophore networks
In Special Collection:
Light-matter Interaction at the Nano and Molecular Scale
J. Chem. Phys. 160, 034105 (2024)
https://doi.org/10.1063/5.0181034
A simple efficient algorithm for molecular simulations of constant potential electrodes
J. Chem. Phys. 160, 034107 (2024)
https://doi.org/10.1063/5.0171502
Computing equilibrium free energies through a nonequilibrium quench
In Special Collection:
2023 JCP Emerging Investigators Special Collection
J. Chem. Phys. 160, 034109 (2024)
https://doi.org/10.1063/5.0176700
Advanced Experimental Techniques
On selection rules in two-dimensional terahertz–infrared–visible spectroscopy
J. Chem. Phys. 160, 034201 (2024)
https://doi.org/10.1063/5.0179041
Atoms, Molecules, and Clusters
Bond dissociation energy of FeCr+ determined through threshold photodissociation in a cryogenic ion trap
J. Chem. Phys. 160, 034301 (2024)
https://doi.org/10.1063/5.0188157
Unraveling the mystery of solvation-dependent fluorescence of fluorescein dianion using computational study
J. Chem. Phys. 160, 034302 (2024)
https://doi.org/10.1063/5.0180218
Liquids, Glasses, and Crystals
Scaling regimes and fluctuations of observables in computer glasses approaching the unjamming transition
J. Chem. Phys. 160, 034502 (2024)
https://doi.org/10.1063/5.0176713
Invariant dynamics in a united-atom model of an ionic liquid
J. Chem. Phys. 160, 034503 (2024)
https://doi.org/10.1063/5.0177373
Kinetics of physical aging of a silicate glass following temperature up- and down-jumps
J. Chem. Phys. 160, 034504 (2024)
https://doi.org/10.1063/5.0185538
Anatomy of the dielectric behavior of methyl-m-toluate glasses during and after vapor deposition
J. Chem. Phys. 160, 034505 (2024)
https://doi.org/10.1063/5.0187166
Materials, Surfaces, and Interfaces
Visible light-driven CO2 photoreduction by a Re(I) complex immobilized onto CuO/Nb2O5 heterojunctions
In Special Collection:
The Physical Chemistry of Solar Fuels Catalysis
J. Chem. Phys. 160, 034701 (2024)
https://doi.org/10.1063/5.0178945
Enhanced ferromagnetic properties achieved by F-doping in BaFe1−xMnxO3−δ
J. Chem. Phys. 160, 034702 (2024)
https://doi.org/10.1063/5.0186858
Coverage-dependent desorption kinetics of water on a well-ordered alumina thin film surface
J. Chem. Phys. 160, 034703 (2024)
https://doi.org/10.1063/5.0183443
Energy transfer enhanced photoluminescence of 2D/3D CsPbBr3 hybrid assemblies
J. Chem. Phys. 160, 034704 (2024)
https://doi.org/10.1063/5.0187699
The energies and charge and spin distributions in the low-lying levels of singlet and triplet N2V defects in diamond from direct variational calculations of the excited states
In Special Collection:
John Perdew Festschrift
J. Chem. Phys. 160, 034705 (2024)
https://doi.org/10.1063/5.0178893
Interfacial electron transfer of perylenes: Influence of the anchor binding mode
In Special Collection:
The Physical Chemistry of Solar Fuels Catalysis
J. Chem. Phys. 160, 034706 (2024)
https://doi.org/10.1063/5.0185342
Pressure-cycling induced transition behaviors of MnBi2Te4
J. Chem. Phys. 160, 034707 (2024)
https://doi.org/10.1063/5.0184624
Two potential paths for OH radical formation on surfaces of pure water microdroplets
In Special Collection:
Water: Molecular Origins of its Anomalies
J. Chem. Phys. 160, 034708 (2024)
https://doi.org/10.1063/5.0188908
Polymers and Soft Matter
Tracing the slow Arrhenius process deep in the glassy state–quantitative evaluation of the dielectric relaxation of bulk samples and thin polymer films in the temperature domain
In Special Collection:
Polymer Nanoconfinement
J. Chem. Phys. 160, 034901 (2024)
https://doi.org/10.1063/5.0184382
Eliminating the Tg-confinement and fragility-confinement effects in poly(4-methylstyrene) films by incorporation of 3 mol % 2-ethylheyxl acrylate comonomer
In Special Collection:
Polymer Nanoconfinement
J. Chem. Phys. 160, 034903 (2024)
https://doi.org/10.1063/5.0189409
