tag:joss.theoj.org,2005:/papers/tagged/Quantum%20chemistryJournal of Open Source Software2023-11-21T16:27:28ZJournal of Open Source Softwarehttps://joss.theoj.orgtag:joss.theoj.org,2005:Paper/44572023-11-21T16:27:28Z2023-11-22T08:46:01ZQMCTorch: a PyTorch Implementation of Real-Space Quantum Monte Carlo Simulations of Molecular Systemsacceptedv0.3.02023-04-28 08:45:41 UTC912023-11-21 16:27:28 UTC820235472NicolasRenaudNetherlands eScience Center, Science Park 402, 1098 XH Amsterdam, The Netherlands0000-0001-9589-269410.21105/joss.05472https://doi.org/10.5281/zenodo.10122190Pythonhttps://joss.theoj.org/papers/10.21105/joss.05472.pdfDeep Learning, Quantum Chemistry, Monte Carlo, Molecular Systemstag:joss.theoj.org,2005:Paper/38012022-12-15T15:15:03Z2022-12-16T00:00:59ZQuantNBody: a Python package for quantum chemistry and physics to build and manipulate many-body operators and wave functions.acceptedv 1.0.02022-08-05 22:18:57 UTC802022-12-15 15:15:03 UTC720224759SaadYalouzLaboratoire de Chimie Quantique, Institut de Chimie, CNRS/Université de Strasbourg, 4 rue Blaise Pascal, 67000 Strasbourg, France0000-0002-8818-3379MartinRafaelGullinLaboratoire de Chimie Quantique, Institut de Chimie, CNRS/Université de Strasbourg, 4 rue Blaise Pascal, 67000 Strasbourg, FranceSajanthanSekaranLaboratoire de Chimie Quantique, Institut de Chimie, CNRS/Université de Strasbourg, 4 rue Blaise Pascal, 67000 Strasbourg, France10.21105/joss.04759https://doi.org/10.5281/zenodo.7440993Python, Jupyter Notebookhttps://joss.theoj.org/papers/10.21105/joss.04759.pdfquantum physics and chemistry, quantum many-body systems, exact diagonalizationtag:joss.theoj.org,2005:Paper/32642022-06-25T13:58:33Z2022-06-26T00:01:19ZInterface to high-performance periodic coupled-cluster theory calculations with atom-centered, localized basis functionsacceptedv1.0.02021-12-24 03:42:31 UTC742022-06-25 13:58:33 UTC720224040EvgenyMoermanThe NOMAD Laboratory at the Fritz Haber Institute of the Max Plank Society, Berlin, GermanyFelixHummelInstitute for Theoretical Physics, TU Wien, Vienna, AustriaAndreasGrüneisInstitute for Theoretical Physics, TU Wien, Vienna, AustriaAndreasIrmlerInstitute for Theoretical Physics, TU Wien, Vienna, AustriaMatthiasSchefflerThe NOMAD Laboratory at the Fritz Haber Institute of the Max Plank Society, Berlin, Germany10.21105/joss.04040https://doi.org/10.5281/zenodo.6658117Fortranhttps://joss.theoj.org/papers/10.21105/joss.04040.pdfMaterials science, Quantum chemistry, High-performance, Periodic Coupled Cluster