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Viscosity and Stokes-Einstein relation in deeply supercooled water under pressure
Quadratic scaling bosonic path integral molecular dynamics
Electron-to-nuclear spectral mapping via dynamic nuclear polarization
Symmetry-specific characterization of bond orientation order in DNA-assembled nanoparticle lattices
Issues
EDITORIALS
The chemical physics of electrode-electrolyte interfaces
In Special Collection:
The Chemical Physics of the Electrode-Electrolyte Interface
J. Chem. Phys. 159, 150401 (2023)
https://doi.org/10.1063/5.0177099
Chemical physics of controlled wettability and super surfaces
In Special Collection:
Chemical Physics of Controlled Wettability and Super Surfaces
J. Chem. Phys. 159, 150402 (2023)
https://doi.org/10.1063/5.0177250
COMMUNICATIONS
Crystallization of FAPbI3: Polytypes and stacking faults
In Special Collection:
2023 JCP Emerging Investigators Special Collection
J. Chem. Phys. 159, 151102 (2023)
https://doi.org/10.1063/5.0165285
Viscosity and Stokes-Einstein relation in deeply supercooled water under pressure
J. Chem. Phys. 159, 151103 (2023)
https://doi.org/10.1063/5.0169743
The electron-centric approach to the exchange-correlation energy
In Special Collection:
John Perdew Festschrift
J. Chem. Phys. 159, 151104 (2023)
https://doi.org/10.1063/5.0166486
Cavity-modified Fermi’s golden rule rate constants: Beyond the single mode approximation
J. Chem. Phys. 159, 151105 (2023)
https://doi.org/10.1063/5.0172265
ARTICLES
Theoretical Methods and Algorithms
Nonequilibrium interfacial properties of chemically driven fluids
In Special Collection:
2023 JCP Emerging Investigators Special Collection
J. Chem. Phys. 159, 154101 (2023)
https://doi.org/10.1063/5.0166824
Spin state and magnetic coupling in polynuclear Ni(II) complexes from density functional theory: is there an optimal amount of Fock exchange?
In Special Collection:
John Perdew Festschrift
J. Chem. Phys. 159, 154103 (2023)
https://doi.org/10.1063/5.0169105
Global dynamics, thermodynamics and non-equilibrium origin of bifurcations for single neuron dynamics
J. Chem. Phys. 159, 154105 (2023)
https://doi.org/10.1063/5.0169296
Systematic determination of coupling constants in spin clusters from broken-symmetry mean-field solutions
J. Chem. Phys. 159, 154106 (2023)
https://doi.org/10.1063/5.0172314
Quadratic scaling bosonic path integral molecular dynamics
In Special Collection:
JCP and CPR Editors’ Choice 2024
,
2023 JCP Emerging Investigators Special Collection
J. Chem. Phys. 159, 154107 (2023)
https://doi.org/10.1063/5.0173749
Smooth particle mesh Ewald-integrated stochastic Lanczos many-body dispersion algorithm
J. Chem. Phys. 159, 154109 (2023)
https://doi.org/10.1063/5.0166476
What can lattice DFT teach us about real-space DFT?
In Special Collection:
John Perdew Festschrift
J. Chem. Phys. 159, 154110 (2023)
https://doi.org/10.1063/5.0170312
Use of FLOSIC for understanding anion-solvent interactions
In Special Collection:
John Perdew Festschrift
Mark R. Pederson; Kushantha P. K. Withanage; Zahra Hooshmand; Alex I. Johnson; Tunna Baruah; Yoh Yamamoto; Rajendra R. Zope; Der-You Kao; Priyanka B. Shukla; J. Karl Johnson; Juan E. Peralta; Koblar A. Jackson
J. Chem. Phys. 159, 154112 (2023)
https://doi.org/10.1063/5.0172300
Advanced Experimental Techniques
Electron-to-nuclear spectral mapping via dynamic nuclear polarization
In Special Collection:
JCP Editors’ Choice 2023
,
2023 JCP Emerging Investigators Special Collection
J. Chem. Phys. 159, 154201 (2023)
https://doi.org/10.1063/5.0157954
Atoms, Molecules, and Clusters
The low-lying electronic states and ultrafast relaxation dynamics of the monomers and J-aggregates of meso-tetrakis (4-sulfonatophenyl)-porphyrins
In Special Collection:
John Perdew Festschrift
J. Chem. Phys. 159, 154302 (2023)
https://doi.org/10.1063/5.0174368
Liquids, Glasses, and Crystals
A fresh look at the vibrational and thermodynamic properties of liquids within the soft potential model
J. Chem. Phys. 159, 154501 (2023)
https://doi.org/10.1063/5.0158089
Binding Debye–Hückel theory for associative electrolyte solutions
J. Chem. Phys. 159, 154503 (2023)
https://doi.org/10.1063/5.0170146
Glassy dynamics of water in TIP4P/Ice aqueous solutions of trehalose in comparison with the bulk phase
J. Chem. Phys. 159, 154504 (2023)
https://doi.org/10.1063/5.0168933
Ordering properties of anisotropic hard bodies in one-dimensional channels
J. Chem. Phys. 159, 154507 (2023)
https://doi.org/10.1063/5.0169605
Materials, Surfaces, and Interfaces
Gold nanoparticles aggregation on graphene using Reactive force field: A molecular dynamic study
J. Chem. Phys. 159, 154702 (2023)
https://doi.org/10.1063/5.0173905
Plasmon-enhanced circular dichroism spectroscopy of chiral drug solutions
In Special Collection:
Chirality of Plasmonic Structures and Materials
Matteo Venturi; Raju Adhikary; Ambaresh Sahoo; Carino Ferrante; Isabella Daidone; Francesco Di Stasio; Andrea Toma; Francesco Tani; Hatice Altug; Antonio Mecozzi; Massimiliano Aschi; Andrea Marini
J. Chem. Phys. 159, 154703 (2023)
https://doi.org/10.1063/5.0169826
Molecular simulation of the confined crystallization of ice in cement nanopore
J. Chem. Phys. 159, 154704 (2023)
https://doi.org/10.1063/5.0169783
Atomic scale structure and bond stretching force constants in stoichiometric and off-stoichiometric kesterites
Konrad Ritter; Galina Gurieva; Stefanie Eckner; René Schwiddessen; Francesco d’Acapito; Edmund Welter; Susan Schorr; Claudia S. Schnohr
J. Chem. Phys. 159, 154705 (2023)
https://doi.org/10.1063/5.0169755
Combining molecular dynamics simulations and x-ray scattering techniques for the accurate treatment of protonation degree and packing of ionizable lipids in monolayers
Miriam Grava; Mohd Ibrahim; Akhil Sudarsan; Julio Pusterla; Julian Philipp; Joachim O. Rädler; Nadine Schwierz; Emanuel Schneck
J. Chem. Phys. 159, 154706 (2023)
https://doi.org/10.1063/5.0172552
Chemical Physics Software
Charge carrier dynamics in conducting polymer PEDOT using ab initio molecular dynamics simulations
J. Chem. Phys. 159, 154801 (2023)
https://doi.org/10.1063/5.0169363
ColabFit exchange: Open-access datasets for data-driven interatomic potentials
In Special Collection:
Software for Atomistic Machine Learning
Joshua A. Vita; Eric G. Fuemmeler; Amit Gupta; Gregory P. Wolfe; Alexander Quanming Tao; Ryan S. Elliott; Stefano Martiniani; Ellad B. Tadmor
J. Chem. Phys. 159, 154802 (2023)
https://doi.org/10.1063/5.0163882
Polymers and Soft Matter
Insights into the structure and Ion transport of pectin-[BMIM][PF6] electrolytes
J. Chem. Phys. 159, 154902 (2023)
https://doi.org/10.1063/5.0158127
Effective temperature for an intermittent bistable potential
J. Chem. Phys. 159, 154903 (2023)
https://doi.org/10.1063/5.0165670
Optothermal crystallization of hard spheres in an effective bidimensional geometry
J. Chem. Phys. 159, 154904 (2023)
https://doi.org/10.1063/5.0169221
Symmetry-specific characterization of bond orientation order in DNA-assembled nanoparticle lattices
In Special Collection:
JCP Editors’ Choice 2023
J. Chem. Phys. 159, 154905 (2023)
https://doi.org/10.1063/5.0168604
Biological Molecules and Networks
Molecular noise-induced activator-inhibitor duality in enzyme inhibition kinetics
J. Chem. Phys. 159, 155101 (2023)
https://doi.org/10.1063/5.0152686
The Amsterdam Modeling Suite
Evert Jan Baerends, Nestor F. Aguirre, et al.
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.