Building Machine Learning assisted Phase Diagrams: three chemically relevant examples. – (Xabier Telleria Allika / LCPQ / Seminar). – 14/04/2022
salle de séminaire 3ème étage Bâtiment 3r1 Université Toulouse III, Toulouse, FranceXabier Telleria Allika (hosted by Arjan and Stefano) Abstract: In this work we present a systematic procedure to build phase diagrams for chemically relevant properties by the use of a semi-supervised machine learning technique called uncertainty sampling. Concretely, in this work we focus on ground state spin multiplicity and chemical bonding properties. As a first… Read More »Building Machine Learning assisted Phase Diagrams: three chemically relevant examples. – (Xabier Telleria Allika / LCPQ / Seminar). – 14/04/2022