112 citations · 279 across the 14 of their papers we have counts for
3 papers · 1 filter
Symmetry-based computational search for novel binary and ternary 2D materials
Hai-Chen Wang, Jonathan Schmidt, Miguel A. L. Marques +2
We present a symmetry-based exhaustive approach to explore the structural and compositional richness of two-dimensional materials. We use a ``combinatorial engine'' that constructs…
Large-scale machine-learning-assisted exploration of the whole materials space
Jonathan Schmidt, Noah Hoffmann, Hai-Chen Wang +5
Crystal-graph attention networks have emerged recently as remarkable tools for the prediction of thermodynamic stability and materials properties from unrelaxed crystal structures.…
Machine Learning guided high-throughput search of non-oxide garnets
Jonathan Schmidt, Haichen Wang, Georg Schmidt +1
Garnets, known since the early stages of human civilization, have found important applications in modern technologies including magnetorestriction, spintronics, lithium batteries,…