@misc{indiciaeff694cb84def, title = {Machine-learning accelerated geometry optimization in molecular simulation}, author = {Yang, Yilin and Jiménez-Negrón, Omar A. and Kitchin, John R.}, year = {2021}, doi = {10.1063/5.0049665}, url = {https://www.osti.gov/biblio/1852532}, note = {Source identifier: 1852532} }