@misc{indiciae31440acdc500, title = {NEXTorch: A Design and Bayesian Optimization Toolkit for Chemical Sciences and Engineering}, author = {Wang, Yifan and Chen, Tai-Ying and Vlachos, Dionisios G.}, year = {2021}, doi = {10.1021/acs.jcim.1c00637}, url = {https://www.osti.gov/biblio/1977906}, note = {Source identifier: 1977906} }