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Response properties in phaseless auxiliary field quantum Monte Carlo
Bio-inspired synaptic behavior simulation in thin-film transistors based on molybdenum disulfide
PERSPECTIVES
A call to arms: Making the case for more reusable libraries
In Special Collection:
Modular and Interoperable Software for Chemical Physics
J. Chem. Phys. 159, 180901 (2023)
https://doi.org/10.1063/5.0175165
COMMUNICATIONS
Consistent density functional theory-based description of ion hydration through density-corrected many-body representations
In Special Collection:
John Perdew Festschrift
J. Chem. Phys. 159, 181101 (2023)
https://doi.org/10.1063/5.0174577
ARTICLES
Theoretical Methods and Algorithms
Response properties in phaseless auxiliary field quantum Monte Carlo
J. Chem. Phys. 159, 184101 (2023)
https://doi.org/10.1063/5.0171996
Exact two-component theory becoming an efficient tool for NMR shieldings and shifts with spin–orbit coupling
In Special Collection:
2023 JCP Emerging Investigators Special Collection
J. Chem. Phys. 159, 184102 (2023)
https://doi.org/10.1063/5.0171509
Stochastic chemical kinetics of cell fate decision systems: From single cells to populations and back
J. Chem. Phys. 159, 184103 (2023)
https://doi.org/10.1063/5.0160529
Simultaneous identification of strong and weak interactions with Pauli energy, Pauli potential, Pauli force, and Pauli charge
In Special Collection:
John Perdew Festschrift
J. Chem. Phys. 159, 184104 (2023)
https://doi.org/10.1063/5.0173666
A critique on the suitability of Fer expansion in time-evolution studies in quantum mechanics
J. Chem. Phys. 159, 184106 (2023)
https://doi.org/10.1063/5.0169532
Heat conductivity from energy-density fluctuations
J. Chem. Phys. 159, 184107 (2023)
https://doi.org/10.1063/5.0168732
From ab initio to continuum: Linking multiple scales using deep-learned forces
J. Chem. Phys. 159, 184108 (2023)
https://doi.org/10.1063/5.0166927
REAlgo: Rapid and efficient algorithm for estimating MP2/CCSD energy gradients for large molecular clusters
J. Chem. Phys. 159, 184109 (2023)
https://doi.org/10.1063/5.0174726
A streamlined molecular-dynamics workflow for computing solubilities of molecular and ionic crystals
J. Chem. Phys. 159, 184110 (2023)
https://doi.org/10.1063/5.0173341
Analytical nonadiabatic coupling and state-specific energy gradient for the crystal field Hamiltonian describing lanthanide single-ion magnets
In Special Collection:
Chiral Induced Spin Selectivity
J. Chem. Phys. 159, 184111 (2023)
https://doi.org/10.1063/5.0168996
First-principles simulation of excitation energy transfer and transient absorption spectroscopy in the CP29 light-harvesting complex
In Special Collection:
2023 JCP Emerging Investigators Special Collection
J. Chem. Phys. 159, 184112 (2023)
https://doi.org/10.1063/5.0170295
Advanced Experimental Techniques
The experimental approach for the interleaved joint modulation of PHIP and NMR
J. Chem. Phys. 159, 184201 (2023)
https://doi.org/10.1063/5.0173895
Polarization-dependent intensity ratios in double resonance spectroscopy
J. Chem. Phys. 159, 184202 (2023)
https://doi.org/10.1063/5.0172828
Measurements of absolute line strength of the ν1 fundamental transitions of OH radical and rate coefficient of the reaction OH + H2O2 with mid-infrared two-color time-resolved dual-comb spectroscopy
In Special Collection:
2023 JCP Emerging Investigators Special Collection
J. Chem. Phys. 159, 184203 (2023)
https://doi.org/10.1063/5.0176311
Atoms, Molecules, and Clusters
How important is the amount of exact exchange for spin-state energy ordering in DFT? Case study of molybdenum carbide cluster, Mo4C2
In Special Collection:
John Perdew Festschrift
J. Chem. Phys. 159, 184301 (2023)
https://doi.org/10.1063/5.0169409
Threshold collision induced dissociation of protonated water clusters
J. Chem. Phys. 159, 184302 (2023)
https://doi.org/10.1063/5.0167551
Deposition products predicted from conceptual DFT: The hydrolysis reactions of MoF6, WF6, and UF6
In Special Collection:
John Perdew Festschrift
J. Chem. Phys. 159, 184305 (2023)
https://doi.org/10.1063/5.0176552
Liquids, Glasses, and Crystals
Analysis of probability of inserting a hard spherical particle with small diameter in hard-sphere fluid
J. Chem. Phys. 159, 184503 (2023)
https://doi.org/10.1063/5.0170928
Materials, Surfaces, and Interfaces
Bio-inspired synaptic behavior simulation in thin-film transistors based on molybdenum disulfide
In Special Collection:
JCP Editors’ Choice 2023
J. Chem. Phys. 159, 184702 (2023)
https://doi.org/10.1063/5.0174857
Purely single-bonded spiral nitrogen chains stabilized by trivalent lanthanum ions
J. Chem. Phys. 159, 184703 (2023)
https://doi.org/10.1063/5.0176226
Modulation of carrier conduction in CsPbBr3 perovskite quantum dots with band-aligned electron and hole acceptors
In Special Collection:
The Physical Chemistry of Solar Fuels Catalysis
J. Chem. Phys. 159, 184704 (2023)
https://doi.org/10.1063/5.0174262
Machine learning predicted emission of water-stable CdTe quantum dots
J. Chem. Phys. 159, 184705 (2023)
https://doi.org/10.1063/5.0170957
Silicone elastomers and the Persson-Brener adhesion model
In Special Collection:
Adhesion and Friction
J. Chem. Phys. 159, 184708 (2023)
https://doi.org/10.1063/5.0172415
Exciton–polaron interactions in metal halide perovskite nanocrystals revealed via two-dimensional electronic spectroscopy
In Special Collection:
Festschrift in honor of Louis E. Brus
J. Chem. Phys. 159, 184711 (2023)
https://doi.org/10.1063/5.0173369
Polymers and Soft Matter
Osmotic swelling behavior of surface-charged ionic microgels
J. Chem. Phys. 159, 184901 (2023)
https://doi.org/10.1063/5.0161027
Counterion-controlled phase equilibria in a charge-regulated polymer solution
J. Chem. Phys. 159, 184902 (2023)
https://doi.org/10.1063/5.0169610
Biological Molecules and Networks
Particle binding capacity of snail saliva
In Special Collection:
Adhesion and Friction
J. Chem. Phys. 159, 185101 (2023)
https://doi.org/10.1063/5.0176668
