Direct insight into the structure-property relation of interfaces from constrained crystal structure prediction

by Lin Sun, Miguel A. L. Marques, Silvana Botti
Published 2021

Predicting stable crystalline compounds using chemical similarity

by Hai-Chen Wang, Silvana Botti, Miguel A. L. Marques
Published 2021

Emergence of superconductivity in doped H2O ice at high pressure

by José A. Flores-Livas, Antonio Sanna, Miglė Graužinytė, Arkadiy Davydov, Stefan Goedecker, Miguel A. L. Marques
Published 2017