Structural constraint integration in a generative model for the discovery of quantum materials
Fu, L. Topological crystalline insulators. Phys. Rev. Lett. 106, 106802 (2011). Article PubMed Google Scholar Bihlmayer, G., Noël,…
Transferable dispersion-aware machine learning interatomic potentials for multilayer transition metal dichalcogenide heterostructures
Data generation and neural network training To develop a neural network potential with DFT accuracy in energy and…