Troubleshooting unstable molecules in chemical space

por Senthil, Salini, Chakraborty, Sabyasachi, Ramakrishnan, Raghunathan
Publicado 2021

Quantum chemistry structures and properties of 134 kilo molecules

por Ramakrishnan, Raghunathan, Dral, Pavlo O., Rupp, Matthias, von Lilienfeld, O. Anatole
Publicado 2014

Machine Learning Predictions of Molecular Properties: Accurate Many-Body Potentials and Nonlocality in Chemical Space

por Hansen, Katja, Biegler, Franziska, Ramakrishnan, Raghunathan, Pronobis, Wiktor, von Lilienfeld, O. Anatole, Müller, Klaus-Robert, Tkatchenko, Alexandre
Publicado 2015