PaperUltra-fast semi-empirical quantum chemistry for high-throughput computational campaigns with SparrowFrancesco Bosia, Peikun Zheng, et al.Journal of Chemical Physics
PaperQuantum chemical data generation as fill-in for reliability enhancement of machine-learning reaction and retrosynthesis planningAlessandra Toniato, Jan P. Unsleber, et al.Digital Discovery
Conference paperData management in molecular and cell biology: Vision and recommendationsBarbara Eckman, Julia Rice, et al.OMICS A Journal of Integrative Biology
PaperHardware efficient quantum algorithms for vibrational structure calculationsPauline J. Ollitrault, Alberto Baiardi, et al.Chemical Science
