Learning Matter @ MIT
Rafael Gomez-Bombarelli Group @ MIT
Pinned Loading
Repositories
Showing 10 of 38 repositories
- AutoBADDIE Public
Autonomously train class 1 and class 2 interatomic potentials for MD using gas-phase DFT training data
learningmatter-mit/AutoBADDIE’s past year of commit activity - SingleAtom-LocalEnv Public
Active learning accelerated exploration of the single atom local environments in multimetallic systems for oxygen electrocatalysis
learningmatter-mit/SingleAtom-LocalEnv’s past year of commit activity - PerovskiteOrderingGCNNs Public
Repo for our paper "Learning Orderings in Crystalline Materials with Symmetry-Aware Graph Neural Networks"
learningmatter-mit/PerovskiteOrderingGCNNs’s past year of commit activity - Chem-prop-pred Public
Repository for predicting conductivities through Arrhenius parameters for polymer electrolytes.
learningmatter-mit/Chem-prop-pred’s past year of commit activity - Perovskite-Ordering-Descriptors Public
Repo for our paper "Data-Driven Physics-Informed Descriptors of Cation Ordering in Multicomponent Perovskite Oxides"
learningmatter-mit/Perovskite-Ordering-Descriptors’s past year of commit activity
