The main repository of Open Quantum Platform (OpenQP)
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Updated
Sep 23, 2024 - Fortran
The main repository of Open Quantum Platform (OpenQP)
Theoretical UV-Vis and Excitation Spectrum using DFT and TDDFT with PySCF
Render Gaussian cube files using Blender and Python
Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
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.
Real-time TDDFT for Quantum-Espresso
Time Dependent DFT in Tamm-Dancoff Approximation
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
Chebyshev propagator for RT-TDDFT module in NWChem
creating summaries from excited state calculations from different QC software
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