no code implementations • 31 Dec 2020 • Prakriti Kayastha, Raghunathan Ramakrishnan
Crystal structures connected by continuous phase transitions are linked through mathematical relations between crystallographic groups and their subgroups.
Chemical Physics
1 code implementation • 26 Oct 2015 • Raghunathan Ramakrishnan, O. Anatole von Lilienfeld
We review recent studies dealing with the generation of machine learning models of molecular and solid properties.
Chemical Physics
no code implementations • 8 Apr 2015 • Raghunathan Ramakrishnan, Mia Hartmann, Enrico Tapavicza, O. Anatole von Lilienfeld
For a training set of 10 thousand molecules, CC2 excitation energies can be reproduced to within $\pm$0. 1 eV for the remaining molecules.
Chemical Physics
