Fleur Legrain

Publication Activity (10 Years)

Years Active: 2017-2018
Publications (10 Years): 2

Top Topics

Sensitive Detection

Machine Learning

Molecular Dynamics Simulations

Top Venues

The journal of physical chemistry. B

Journal of chemical information and modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Fleur Legrain, Ambroise van Roekeghem, Stefano Curtarolo, Jesús Carrete, Georg K H Madsen, Natalio Mingo
Vibrational Properties of Metastable Polymorph Structures by Machine Learning. Journal of chemical information and modeling 58 (12) (2018)
Fleur Legrain, Jesús Carrete, Ambroise van Roekeghem, Georg K H Madsen, Natalio Mingo
Materials Screening for the Discovery of New Half-Heuslers: Machine Learning versus ab Initio Methods. The journal of physical chemistry. B 122 (2) (2017)