Year of publication
Type of media
Source
Subject
Type of material
Licence
Synonyms were used for: Physics
Search without synonyms: journal:(The Journal of Chemical Physics)
Used synonyms:
- physik
-
Scalable molecular dynamics on CPU and GPU architectures with NAMD
American Institute of Physics | 2020| -
WIEN2k: An APW+lo program for calculating the properties of solids
Free accessAmerican Institute of Physics | 2020| -
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations
Free accessAmerican Institute of Physics | 2020| -
SchNet – A deep learning architecture for molecules and materials
American Institute of Physics | 2018| -
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
National licenceAmerican Institute of Physics | 2010| -
Recent developments in the general atomic and molecular electronic structure system
American Institute of Physics | 2020| -
Implicit self-consistent electrolyte model in plane-wave density-functional theory
American Institute of Physics | 2019| -
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
Free accessAmerican Institute of Physics | 2020| -
A generally applicable atomic-charge dependent London dispersion correction
American Institute of Physics | 2019| -
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
Free accessAmerican Institute of Physics | 2020| -
Perspective: Fifty years of density-functional theory in chemical physics
Free accessAmerican Institute of Physics | 2014| -
ωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation
American Institute of Physics | 2016| -
Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)]
Free accessAmerican Institute of Physics | 2018| -
PSI4 1.4: Open-source software for high-throughput quantum chemistry
American Institute of Physics | 2020| -
TRAVIS—A free analyzer for trajectories from molecular simulation
Free accessAmerican Institute of Physics | 2020|
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