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The “energy gap law” for mid-infrared nanocrystals
Nuclear quantum effects on the vibrational dynamics of the water–air interface
Strong coupling-induced frequency shifts of highly detuned photonic modes in multimode cavities
Multibubble sonoluminescence in supercooled water
Engineering quantum dots for improved single photon emission statistics
Dynamic modulation of multicolor upconversion luminescence of Er3+ via excitation pulse width
Amorphous MoS2 from a machine learning inter-atomic potential
PERSPECTIVES
The “energy gap law” for mid-infrared nanocrystals
In Special Collection:
Festschrift in honor of Louis E. Brus
J. Chem. Phys. 160, 200901 (2024)
https://doi.org/10.1063/5.0206018
Excitons at the interface of 2D TMDs and molecular semiconductors
J. Chem. Phys. 160, 200902 (2024)
https://doi.org/10.1063/5.0206417
COMMUNICATIONS
Surface viscosity of liquid interfaces from Green–Kubo relations
J. Chem. Phys. 160, 201101 (2024)
https://doi.org/10.1063/5.0206954
SOFTWARE
Working with benchmark datasets in the Cuby framework
In Special Collection:
Modular and Interoperable Software for Chemical Physics
J. Chem. Phys. 160, 202501 (2024)
https://doi.org/10.1063/5.0203372
Sire: An interoperability engine for prototyping algorithms and exchanging information between molecular simulation programs
In Special Collection:
Modular and Interoperable Software for Chemical Physics
J. Chem. Phys. 160, 202503 (2024)
https://doi.org/10.1063/5.0200458
ARTICLES
Theoretical Methods and Algorithms
Unraveling the collinearity in short-range order parameters for lattice configurations arising from topological constraints
In Special Collection:
Monte Carlo methods, 70 years after Metropolis et al. (1953)
J. Chem. Phys. 160, 204101 (2024)
https://doi.org/10.1063/5.0204813
QED corrections to the correlated relativistic energy: One-photon processes
J. Chem. Phys. 160, 204103 (2024)
https://doi.org/10.1063/5.0193250
Quantifying spin contamination in algebraic diagrammatic construction theory of electronic excitations
J. Chem. Phys. 160, 204104 (2024)
https://doi.org/10.1063/5.0207684
High accuracy exponential decomposition of bath correlation functions for arbitrary and structured spectral densities: Emerging methodologies and new approaches
In Special Collection:
Algorithms and Software for Open Quantum System Dynamics
J. Chem. Phys. 160, 204105 (2024)
https://doi.org/10.1063/5.0209348
Assessing the global natural orbital functional approximation on model systems with strong correlation
J. Chem. Phys. 160, 204106 (2024)
https://doi.org/10.1063/5.0207325
The eXact integral simplified time-dependent density functional theory (XsTD-DFT)
In Special Collection:
2024 JCP Emerging Investigators Special Collection
J. Chem. Phys. 160, 204110 (2024)
https://doi.org/10.1063/5.0206380
Dense-sparse quantum Monte Carlo algebraic diagrammatic construction and importance ranking
In Special Collection:
Monte Carlo methods, 70 years after Metropolis et al. (1953)
J. Chem. Phys. 160, 204111 (2024)
https://doi.org/10.1063/5.0209137
Nuclear quantum effects on the vibrational dynamics of the water–air interface
J. Chem. Phys. 160, 204114 (2024)
https://doi.org/10.1063/5.0204071
Bexcitonics: Quasiparticle approach to open quantum dynamics
In Special Collection:
Algorithms and Software for Open Quantum System Dynamics
J. Chem. Phys. 160, 204116 (2024)
https://doi.org/10.1063/5.0198567
Electronic energy transfer in molecular wire: Coherences in the presence of anharmonicity
J. Chem. Phys. 160, 204117 (2024)
https://doi.org/10.1063/5.0196606
A remarkably simple dispersion damping scheme and the DH24 double hybrid density functional
J. Chem. Phys. 160, 204118 (2024)
https://doi.org/10.1063/5.0207682
Advanced Experimental Techniques
Atoms, Molecules, and Clusters
Conformational and environmental effects on the electronic and vibrational properties of dyes for solar cell devices
In Special Collection:
2024 JCP Emerging Investigators Special Collection
J. Chem. Phys. 160, 204301 (2024)
https://doi.org/10.1063/5.0207770
Exploring structures of small anionic nickel–ethanol clusters with infrared spectroscopy
J. Chem. Phys. 160, 204302 (2024)
https://doi.org/10.1063/5.0208122
Strong coupling-induced frequency shifts of highly detuned photonic modes in multimode cavities
J. Chem. Phys. 160, 204303 (2024)
https://doi.org/10.1063/5.0208379
Exploring the photochemistry of OAlOH: Photodissociation pathways and electronic spectra
J. Chem. Phys. 160, 204304 (2024)
https://doi.org/10.1063/5.0207398
Alignment of ND3 molecules in dc-electric fields
J. Chem. Phys. 160, 204305 (2024)
https://doi.org/10.1063/5.0210431
Virtual photon exchange vs electron transfer in interparticle Coulombic electron capture
J. Chem. Phys. 160, 204306 (2024)
https://doi.org/10.1063/5.0203795
Using a multistate mapping approach to surface hopping to predict the ultrafast electron diffraction signal of gas-phase cyclobutanone
In Special Collection:
Prediction Challenge: Cyclobutanone Photochemistry
J. Chem. Phys. 160, 204307 (2024)
https://doi.org/10.1063/5.0203667
Evaluating aliphatic CF, CF2, and CF3 groups as vibrational Stark effect reporters
J. Chem. Phys. 160, 204308 (2024)
https://doi.org/10.1063/5.0198303
Liquids, Glasses, and Crystals
Unknown crystal-like phases formed in an imidazolium ionic liquid: A metadynamics simulation study
In Special Collection:
Porous Solids for Energy Applications
J. Chem. Phys. 160, 204501 (2024)
https://doi.org/10.1063/5.0206020
Local number fluctuations in ordered and disordered phases of water across temperatures: Higher-order moments and degrees of tetrahedrality
In Special Collection:
Water: Molecular Origins of its Anomalies
J. Chem. Phys. 160, 204502 (2024)
https://doi.org/10.1063/5.0204696
Percolation transition and bimodal density distribution in hydrogen fluoride
J. Chem. Phys. 160, 204503 (2024)
https://doi.org/10.1063/5.0207202
Multibubble sonoluminescence in supercooled water
In Special Collection:
Water: Molecular Origins of its Anomalies
J. Chem. Phys. 160, 204504 (2024)
https://doi.org/10.1063/5.0205894
Redox potentials in ionic liquids: Anomalous behavior?
J. Chem. Phys. 160, 204505 (2024)
https://doi.org/10.1063/5.0211056
Materials, Surfaces, and Interfaces
Evolution of structural dynamics in cesium lead halide perovskite colloidal nanocrystals from temperature-controlled synthesis
In Special Collection:
Festschrift in honor of Louis E. Brus
J. Chem. Phys. 160, 204702 (2024)
https://doi.org/10.1063/5.0206402
Cysteine-induced growth of jagged gold bipyramids from penta-twinned nanorod seeds
In Special Collection:
Festschrift in honor of Louis E. Brus
J. Chem. Phys. 160, 204703 (2024)
https://doi.org/10.1063/5.0201185
A networked iron and nitrogen-doped ZIF-8/MWCNTs heterostructure for oxygen reduction reaction
J. Chem. Phys. 160, 204704 (2024)
https://doi.org/10.1063/5.0201482
Theory of acoustic polarons in the two-dimensional SSH model applied to the layered superatomic semiconductor Re6Se8Cl2
In Special Collection:
Festschrift in honor of Louis E. Brus
J. Chem. Phys. 160, 204705 (2024)
https://doi.org/10.1063/5.0205066
Coarse-grained force field for ZIF-8: A study on adsorption, diffusion, and structural properties
J. Chem. Phys. 160, 204706 (2024)
https://doi.org/10.1063/5.0202961
Engineering quantum dots for improved single photon emission statistics
In Special Collection:
Light-matter Interaction at the Nano and Molecular Scale
J. Chem. Phys. 160, 204707 (2024)
https://doi.org/10.1063/5.0205113
Dynamic modulation of multicolor upconversion luminescence of Er3+ via excitation pulse width
In Special Collection:
Light-matter Interaction at the Nano and Molecular Scale
J. Chem. Phys. 160, 204708 (2024)
https://doi.org/10.1063/5.0205895
Amorphous MoS2 from a machine learning inter-atomic potential
J. Chem. Phys. 160, 204709 (2024)
https://doi.org/10.1063/5.0211841
Effect of temperature on polaronic transport in CeO2 thin-film
J. Chem. Phys. 160, 204710 (2024)
https://doi.org/10.1063/5.0206709
Ab initio determination of melting and sound velocity of neon up to the deep interior of the Earth
J. Chem. Phys. 160, 204711 (2024)
https://doi.org/10.1063/5.0200412
Interfacial host–guest complexation for inverted perovskite solar cells
In Special Collection:
2024 JCP Emerging Investigators Special Collection
J. Chem. Phys. 160, 204712 (2024)
https://doi.org/10.1063/5.0202163
Polymers and Soft Matter
Modeling microgel swelling: Influence of chain finite extensibility
J. Chem. Phys. 160, 204901 (2024)
https://doi.org/10.1063/5.0205608
Biological Molecules and Networks
Unraveling the excited-state vibrational cooling dynamics of chlorophyll-a using femtosecond broadband fluorescence spectroscopy
In Special Collection:
Light-matter Interaction at the Nano and Molecular Scale
J. Chem. Phys. 160, 205101 (2024)
https://doi.org/10.1063/5.0203819
ANNaMo: Coarse-grained modeling for folding and assembly of RNA and DNA systems
J. Chem. Phys. 160, 205102 (2024)
https://doi.org/10.1063/5.0202829
