Accelerating the discovery of high-performance nonlinear optical materials using active learning and high-throughput screening
An open first-principles dataset of second-harmonic generation tensors for known and hypothetical inorganic semiconductors, constructed using active learning, propels the data-driven discovery of nonlinear optical materials.
Authors
- Matthew L. Evans (ORCID: https://orcid.org/0000-0002-1182-9098)
- Gian‐Marco Rignanese (ORCID: https://orcid.org/0000-0002-1422-1205)
- Victor Trinquet (ORCID: https://orcid.org/0009-0001-2188-4824)
Institutions
- Northwestern Polytechnical University (CN)
- Walloon Excellence in Lifesciences and Biotechnology (BE)
- Biogen (Belgium) (BE)
- UCLouvain (BE)
Publication Details
- Journal
- Journal of Materials Chemistry C
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5tc01335f
- Citations
- 3
- Primary Topic
- Electronic and Structural Properties of Oxides
- Type
- article
- Field-Weighted Citation Impact
- 1.55
Funders
- European Commission
- Fonds De La Recherche Scientifique - FNRS
- Fédération Wallonie-Bruxelles
- Fonds pour la Formation à la Recherche dans l’Industrie et dans l’Agriculture