Augmenting zero-Kelvin quantum mechanics with machine learning for the prediction of chemical reactions at high temperatures

por Garrido Torres, Jose Antonio, Gharakhanyan, Vahe, Artrith, Nongnuch, Eegholm, Tobias Hoffmann, Urban, Alexander
Publicado 2021

Continuous flow synthesis of pyridinium salts accelerated by multi-objective Bayesian optimization with active learning

por Dunlap, John H., Ethier, Jeffrey G., Putnam-Neeb, Amelia A., Iyer, Sanjay, Luo, Shao-Xiong Lennon, Feng, Haosheng, Garrido Torres, Jose Antonio, Doyle, Abigail G., Swager, Timothy M., Vaia, Richard A., Mirau, Peter, Crouse, Christopher A., Baldwin, Luke A.
Publicado 2023