23 citations · 81 across the 14 of their papers we have counts for
3 papers · 1 filter
Unsupervised topological learning approach of crystal nucleation
Sébastien Becker, Emilie Devijver, Rémi Molinier +1
Nucleation phenomena commonly observed in our every day life are of fundamental, technological and societal importance in many areas, but some of their most intimate mechanisms rem…
Unsupervised topological learning for identification of atomic structures
Sébastien Becker, Emilie Devijver, Rémi Molinier +1
We propose an unsupervised learning methodology with descriptors based on Topological Data Analysis (TDA) concepts to describe the local structural properties of materials at the a…
On the Excess Entropy Scaling Law: a Potential Energy Landscape View
Anthony Saliou, Philippe Jarry, Noel Jakse
The relationship between excess entropy and diffusion is revisited by means of large-scale computer simulation combined to supervised learning approach to determine the excess entr…