Machine Learning Full NMR Chemical Shift Tensors of Silicon Oxides with Equivariant Graph Neural Networks

por Venetos, Maxwell C., Wen, Mingjian, Persson, Kristin A.
Publicado 2023

Improving machine learning performance on small chemical reaction data with unsupervised contrastive pretraining

por Wen, Mingjian, Blau, Samuel M., Xie, Xiaowei, Dwaraknath, Shyam, Persson, Kristin A.
Publicado 2022

BonDNet: a graph neural network for the prediction of bond dissociation energies for charged molecules

por Wen, Mingjian, Blau, Samuel M., Spotte-Smith, Evan Walter Clark, Dwaraknath, Shyam, Persson, Kristin A.
Publicado 2020

Quantum chemical calculations of lithium-ion battery electrolyte and interphase species

por Spotte-Smith, Evan Walter Clark, Blau, Samuel M., Xie, Xiaowei, Patel, Hetal D., Wen, Mingjian, Wood, Brandon, Dwaraknath, Shyam, Persson, Kristin Aslaug
Publicado 2021