3 papers
cond-mat.mtrl-sci2021
Data-driven relationship of atomic structure and physical properties as the holistic view on the materials science fundamentals
Pierre Villars, Evgeny Blokhin, Shuichi Iwata
The fundamental relationship of the atomic structure (represented by its atomic property parameters, APPs) and its physical properties of a specific inorganic substance can be real…
cond-mat.mtrl-sci2021
OPTIMADE, an API for exchanging materials data
Casper W. Andersen, Rickard Armiento, Evgeny Blokhin +53
The Open Databases Integration for Materials Design (OPTIMADE) consortium has designed a universal application programming interface (API) to make materials databases accessible an…
cond-mat.mtrl-sci2018
Quantitative trends in 8 physical properties of 115000 inorganic compounds gained by machine learning
Evgeny Blokhin, Pierre Villars
We applied the decision trees (random forest) machine-learning technique for the large experimental materials dataset PAULING FILE, compiled from the world's peer-reviewed literatu…