Peter Kraus, Edan Bainglass, Francisco F Ramirez, Enea Svaluto-Ferro, Loris Ercole, Benjamin Kunz, Sebastiaan P Huber, Nukorn Plainpan, Nicola Marzari, Corsin Battaglia, Giovanni Pizzi
Compliance with good research data management practices means trust in the integrity of the data, and it is achievable by full control of the data gathering process. In this work, we demonstrate tooling which bridges these two aspects, and illustrate its use in a case study of automated battery cycling. We successfully interface off-the-shelf battery cycling hardware with the computational workflow management software AiiDA, allowing us to control experiments, while ensuring trust in the data by tracking its provenance...
May 8, 2024: Journal of Materials Chemistry. A, Materials for Energy and Sustainability