420 citations · 715 across the 9 of their papers we have counts for
3 papers · 1 filter
Predicting Thermoelectric Transport Properties from Composition with Attention-based Deep Learning
Luis M. Antunes, Keith T. Butler, Ricardo Grau-Crespo
Thermoelectric materials can be used to construct devices which recycle waste heat into electricity. However, the best known thermoelectrics are based on rare, expensive or even to…
Unified Graph Neural Network Force-field for the Periodic Table
Kamal Choudhary, Brian DeCost, Lily Major +3
Classical force fields (FF) based on machine learning (ML) methods show great potential for large scale simulations of materials. MLFFs have hitherto largely been designed and fitt…
Versatile Domain Mapping Of Scanning Electron Nanobeam Diffraction Datasets Utilising Variational AutoEncoders and Decoder-Assisted Latent-Space Clustering
Andy Bridger, William I. F. David, Thomas J. Wood +2
Advancements in fast electron detectors have enabled the statistically significant sampling of crystal structures on the nanometre scale by means of Scanning Electron Nanobeam Diff…