Journal of Chemical Physics
Journal Abbreviation: J CHEM PHYS
ISSN: 0021-9606
eISSN: 1089-7690
Publisher: AIP Publishing
Publications (233)
Bandgap of two-dimensional materials: Thorough assessment of modern exchange-correlation functionals (2021)
Tran F, Doumont J, Kalantari L, Blaha P, Rauch T, Borlido P, Botti S, et al.
Journal article
Numerically stable optimized effective potential method with standard Gaussian basis sets (2021)
Trushin E, Görling A
Journal article
Data-driven equation for drug-membrane permeability across drugs and membranes (2021)
Dutta A, Vreeken J, Ghiringhelli LM, Bereau T
Journal article
Light matter quantum dynamics of complex laser-driven systems (2021)
Gonoskov I, Gräfe S
Journal article
Structural and dynamical properties of dilute gel networks in colloid–polymer mixtures (2021)
Gimperlein M, Schmiedeberg M
Journal article, Original article
Artificial neural networks for the kinetic energy functional of non-interacting fermions (2021)
Ghasemi SA, Kühne TD
Journal article
Are charged tips driving TERS-resolution? A full quantum chemical approach (2021)
Fiederling K, Kupfer S, Gräfe S
Journal article
An embedded atom model for Ga-Pd systems: From intermetallic crystals to liquid alloys (2021)
Wonglakhon T, Maisel S, Görling A, Zahn D
Journal article
Toward chemical accuracy at low computational cost: Density-functional theory with σ-functionals for the correlation energy (2021)
Trushin E, Thierbach A, Görling A
Journal article
Floquet engineering of molecular dynamics via infrared coupling (2020)
Reitz M, Genes C
Journal article