tddft
There are 0 repository under tddft topic.
LLNL / qball
Qball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, molecules, solids, and liquids within the Density Functional Theory (DFT) formalism. It is a fork of the Qbox code by Francois Gygi.
Language:C++ 45molgw / molgw
Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
Language:Fortran 35- Language:Fortran 22
pwborthwick / kspy-tddft
Time Dependent DFT in Tamm-Dancoff Approximation
Language:Python 5SoumenChem / Chebyshev
Chebyshev propagator for RT-TDDFT module in NWChem
Language:Fortran 3sheepforce / Exckel
creating summaries from excited state calculations from different QC software
Language:Haskell 1cybertib / quantumlap
Official repository of the QuantumLaP MSCA H2020 project
0Gourhari / README
Ph.D. in Theoretical and Computational Chemistry at IIT Kharagpur, PDRA-I at SNBNCBS, PDF-I at IIT Bombay, PDF-II at uOttawa, Visiting at UW
dftcdfttddftabinitio-simulationsliesstmagnetismcatalysisaromaticitymachine-learningdeep-learningmetal-organic-frameworkqsar-qspr-qstrcarbon-capture-sequestrationultrafast-click-chemistry-reactionsultracold-reactionsmetastable-compoundshydrogen-storagemicrosolvationsuperalkalis-superhalogenspso-fa-ga-sa-bhLanguage:Jupyter Notebook 0JustusStephani / renderCubeFile
Render Gaussian cube files using Blender and Python
Language:Python 0- Language:C++ 0
