TY - RPRT TI - NEXTorch: A Design and Bayesian Optimization Toolkit for Chemical Sciences and Engineering AU - Wang, Yifan AU - Chen, Tai-Ying AU - Vlachos, Dionisios G. PY - 2021 DO - 10.1021/acs.jcim.1c00637 UR - https://www.osti.gov/biblio/1977906 ID - 1977906 ER -