Journal of Chemical Physics
Journal Abbreviation: J CHEM PHYS
ISSN: 0021-9606
eISSN: 1089-7690
Publisher: AIP Publishing
Publications (241)
Hydrogen diffusion in the confinement between graphene and Ni(111): Full-dimensional simulation of nuclear quantum effects (2025)
Steffen J
Journal article
Assessment of RPA and σ-functional methods for the calculation of dipole moments and static polarizabilities and hyperpolarizabilities (2025)
Mandalia R, Fauser S, Trushin E, Görling A
Journal article
Efficient treatment of long-range electrostatics in charge equilibration approaches (2025)
Savvidi K, Ahrens-Iwers L, Colombi Ciacchi L, Zahn D, Müser MH, Meißner RH
Journal article
Highly precise values for the energy ratios underlying the Lieb-Oxford bound and the convexity conjecture for the adiabatic connection (2025)
Fauser S, Trushin E, Görling A
Journal article
Active polymer behavior in two dimensions: A comparative analysis of tangential and push-pull models (2025)
Janzen G, Miranda JP, Martín-Roca J, Malgaretti P, Locatelli E, Valeriani C, Fernandez DA
Journal article
Reaction-limited evaporation for the color-gradient lattice Boltzmann model (2025)
Nath G, Aouane O, Harting J
Journal article
Kohn-Sham inversion for open-shell systems (2025)
Erhard J, Trushin E, Görling A
Journal article
Iron redox effect on the structure and viscosity of a sodium silicate glass and melt (2024)
Sukenaga S, Cicconi MR, Yamada H, Wakihara T, Ohara K, Shibata H, Neuville DR
Journal article
New insights into the dissolution mechanisms of iron oxides and combusted iron particles in oxalic acid (2024)
Lausch M, Zimina A, Bao J, Pashminehazar R, Etzold B, Kramm UI, Grunwaldt JD, Hussong J
Journal article
Hydrogen diffusion on Ni(100): A combined machine-learning, ring polymer molecular dynamics, and kinetic Monte Carlo study (2024)
Steffen J, Alibakhshi A
Journal article