Fleur Legrain

1. How the Chemical Composition Alone Can Predict Vibrational Free Energies\n and Entropies of Solids
   2017/03/07 by Fleur Legrain, Legrain, Fleur, Jesús Carrete +7 · 1 citation
   Chemistry · Computer Science · Materials Science · #Computational Drug Discovery Methods #Crystallography and molecular interactions #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
2. Materials Screening for the Discovery of New Half-Heuslers: Machine Learning versus Ab Initio Methods
   2017/06/01 by Fleur Legrain, Jesús Carrete, Legrain, Fleur +7 · 1 citation
   Materials Science · Chemistry · #Heusler alloys: electronic and magnetic properties #Inorganic Chemistry and Materials #Machine Learning in Materials Science