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
PaperUltra-fast semi-empirical quantum chemistry for high-throughput computational campaigns with SparrowFrancesco Bosia, Peikun Zheng, et al.Journal of Chemical Physics
PaperHardware efficient quantum algorithms for vibrational structure calculationsPauline J. Ollitrault, Alberto Baiardi, et al.Chemical Science
Conference paperData management in molecular and cell biology: Vision and recommendationsBarbara Eckman, Julia Rice, et al.OMICS A Journal of Integrative Biology
