Theoretical/Computational Chemist
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KTH
- Stockholm
- https://orcid.org/0000-0002-1877-2004
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polaritonic_adcc Public
Tool for polaritonic perturbation theory based electronic structure calculations with MP, UCC and ADC
Python GNU General Public License v3.0 UpdatedAug 26, 2024 -
adcc Public
Forked from adc-connect/adccadcc: Seamlessly connect your program to ADC
Python GNU General Public License v3.0 UpdatedAug 26, 2024 -
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psi4numpy Public
Forked from psi4/psi4numpyCombining Psi4 and Numpy for education and development.
Jupyter Notebook BSD 3-Clause "New" or "Revised" License UpdatedSep 30, 2022 -
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
C++ GNU Lesser General Public License v3.0 UpdatedMay 20, 2022 -
hilbert Public
Forked from edeprince3/hilbertC++ GNU General Public License v3.0 UpdatedMay 20, 2022 -
libtensorlight Public
Forked from adc-connect/libtensorC++ library for tensor computations
C Boost Software License 1.0 UpdatedMar 5, 2022 -
actions-example-iulusoy Public
Forked from BenTho-Uni/actions-example-iulusoyThis is an example repo for GitHub actions as part of the course "Sustainable Software Development".
Python MIT License UpdatedMar 29, 2021 -
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QCElemental Public
Forked from MolSSI/QCElementalPeriodic table, physical constants, and molecule parsing for quantum chemistry.
Python BSD 3-Clause "New" or "Revised" License UpdatedFeb 5, 2021