399 citations · 1.4k across the 14 of their papers we have counts for
15 papers
Predicting Spin-Crossover Behavior in Metal-Organic Frameworks from Limited and Noisy Data Using Quantile Active Learning
Ashna Jose, Emilie Devijver, Martin Uhrin +2
Spin-crossover (SCO) metal-organic frameworks (MOFs) hold great promise for sensing, spintronics, and gas-related applications, however, only a small number of SCO-active examples…
Reproducible container solutions for codes and workflows in materials science
Dylan Bissuel, Léo Orveillon, Benjamin Arrondeau +15
A computing solution combining the GNU Guix functional package manager with the Apptainer container system is presented. This approach provides fully declarative and reproducible s…
MC3D: The Materials Cloud computational database of experimentally known stoichiometric inorganics
Sebastiaan P. Huber, Michail Minotakis, Marnik Bercx +7
DFT is a widely used method to compute properties of materials, which are often collected in databases and serve as valuable starting points for further studies. In this article, w…
Machine learning Hubbard parameters with equivariant neural networks
Martin Uhrin, Austin Zadoks, Luca Binci +2
Density-functional theory with extended Hubbard functionals (DFT++) provides a robust framework to accurately describe complex materials containing transition-metal or rare-e…
Optimal sports betting strategies in practice: an experimental review
Matej Uhrín, Gustav Šourek, Ondřej Hubáček +1
We investigate the most popular approaches to the problem of sports betting investment based on modern portfolio theory and the Kelly criterion. We define the problem setting, the…
Data Management Plans: the Importance of Data Management in the BIG-MAP Project
Ivano E. Castelli, Daniel J. Arismendi-Arrieta, Arghya Bhowmik +27
Open access to research data is increasingly important for accelerating research. Grant authorities therefore request detailed plans for how data is managed in the projects they fi…