Dataset Groups Activity Stream Ab-initio quantum chemistry data The dataset used in this paper is a collection of ab-initio quantum chemistry data, including electronic structure calculations and molecular properties. BibTex: @dataset{Jan_Hermann_and_James_Spencer_and_Kenny_Choo_and_Antonio_Mezzacapo_and_W_M_C_Foulkes_and_David_Pfau_and_Giuseppe_Carleo_and_Frank_Noé_2025, abstract = {The dataset used in this paper is a collection of ab-initio quantum chemistry data, including electronic structure calculations and molecular properties.}, author = {Jan Hermann and James Spencer and Kenny Choo and Antonio Mezzacapo and W. M. C. Foulkes and David Pfau and Giuseppe Carleo and Frank Noé}, doi = {10.57702/slzyoyr1}, institution = {No Organization}, keyword = {'ab-initio', 'electronic structure', 'machine learning', 'molecular properties', 'quantum chemistry'}, month = {jan}, publisher = {TIB}, title = {Ab-initio quantum chemistry data}, url = {https://service.tib.eu/ldmservice/dataset/ab-initio-quantum-chemistry-data}, year = {2025} }
