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The “isothermal” compressibility of active matter
COMMUNICATIONS
Local embedding of coupled cluster theory into the random phase approximation using plane waves
J. Chem. Phys. 154, 011101 (2021)
https://doi.org/10.1063/5.0036363
ARTICLES
Theoretical Methods and Algorithms
Case studies of the time-dependent potential energy surface for dynamics in cavities
In Special Collection:
Polariton Chemistry: Molecules in Cavities and Plasmonic Media
J. Chem. Phys. 154, 014102 (2021)
https://doi.org/10.1063/5.0033386
Reduced scaling formulation of CASPT2 analytical gradients using the supporting subspace method
J. Chem. Phys. 154, 014103 (2021)
https://doi.org/10.1063/5.0035233
Fully variational incremental CASSCF
J. Chem. Phys. 154, 014105 (2021)
https://doi.org/10.1063/5.0031208
Transition-potential coupled cluster
J. Chem. Phys. 154, 014106 (2021)
https://doi.org/10.1063/5.0036631
Variational design principles for nonequilibrium colloidal assembly
In Special Collection:
2020 JCP Emerging Investigators Special Collection
J. Chem. Phys. 154, 014107 (2021)
https://doi.org/10.1063/5.0038652
How to quantify and avoid finite size effects in computational studies of crystal nucleation: The case of heterogeneous ice nucleation
In Special Collection:
2020 JCP Emerging Investigators Special Collection
J. Chem. Phys. 154, 014108 (2021)
https://doi.org/10.1063/5.0026355
An embedded atom model for Ga–Pd systems: From intermetallic crystals to liquid alloys
J. Chem. Phys. 154, 014109 (2021)
https://doi.org/10.1063/5.0031185
Nonadiabatic couplings from a variational excited state method based on constrained DFT
In Special Collection:
Excitons: Energetics and Spatio-temporal Dynamics
J. Chem. Phys. 154, 014110 (2021)
https://doi.org/10.1063/5.0028872
Advanced Experimental Techniques
A Bayesian approach to luminescent down-conversion
In Special Collection:
Up- and Down-Conversion in Molecules and Materials
J. Chem. Phys. 154, 014201 (2021)
https://doi.org/10.1063/5.0026396
Enhancing hyperspectral EELS analysis of complex plasmonic nanostructures with pan-sharpening
J. Chem. Phys. 154, 014202 (2021)
https://doi.org/10.1063/5.0031324
Atoms, Molecules, and Clusters
Ultrafast fs coherent excitonic dynamics in CdSe quantum dots assemblies addressed and probed by 2D electronic spectroscopy
In Special Collection:
Excitons: Energetics and Spatio-temporal Dynamics
J. Chem. Phys. 154, 014301 (2021)
https://doi.org/10.1063/5.0031420
Hydrogen atom quantum diffusion in solid parahydrogen: The H + N2O → cis-HNNO → trans-HNNO reaction
J. Chem. Phys. 154, 014302 (2021)
https://doi.org/10.1063/5.0028853
Molecular photodissociation enabled by ultrafast plasmon decay
In Special Collection:
Polariton Chemistry: Molecules in Cavities and Plasmonic Media
J. Chem. Phys. 154, 014303 (2021)
https://doi.org/10.1063/5.0037856
Hydration motifs of ammonium bisulfate clusters show complex temperature dependence
In Special Collection:
2020 JCP Emerging Investigators Special Collection
J. Chem. Phys. 154, 014304 (2021)
https://doi.org/10.1063/5.0037965
Liquids, Glasses, and Crystals
Physics of phonon-polaritons in amorphous materials
J. Chem. Phys. 154, 014501 (2021)
https://doi.org/10.1063/5.0033371
Structural relaxation in quantum supercooled liquids: A mode-coupling approach
J. Chem. Phys. 154, 014502 (2021)
https://doi.org/10.1063/5.0032085
Tuning proton conductivity and energy barriers for proton transfer
J. Chem. Phys. 154, 014503 (2021)
https://doi.org/10.1063/5.0032512
Materials, Surfaces, and Interfaces
Polymorphic arrangement of an organic molecule in its hydration environment
In Special Collection:
Special Collection in Honor of Women in Chemical Physics and Physical Chemistry
J. Chem. Phys. 154, 014701 (2021)
https://doi.org/10.1063/5.0033081
Rationalization of promoted reverse water gas shift reaction by Pt3Ni alloy: Essential contribution from ensemble effect
In Special Collection:
Special Collection in Honor of Women in Chemical Physics and Physical Chemistry
J. Chem. Phys. 154, 014702 (2021)
https://doi.org/10.1063/5.0037886
Improving the quality factors of plasmonic silver cavities for strong coupling with quantum emitters
In Special Collection:
Spectroscopy and Microscopy of Plasmonic Systems
J. Chem. Phys. 154, 014703 (2021)
https://doi.org/10.1063/5.0034739
Polymers and Soft Matter
The role of counterions in ionic liquid crystals
J. Chem. Phys. 154, 014901 (2021)
https://doi.org/10.1063/5.0034314
The “isothermal” compressibility of active matter
J. Chem. Phys. 154, 014902 (2021)
https://doi.org/10.1063/5.0029364
Simplicity in mean-field phase behavior of two-component miktoarm star copolymers
In Special Collection:
2020 JCP Emerging Investigators Special Collection
J. Chem. Phys. 154, 014903 (2021)
https://doi.org/10.1063/5.0037979
