Publication in The Journal of Physical Chemistry Letters
We have developed a new screening methodology using the V2DB digital library to accelerate the discovery of two-dimensional materials for solar water splitting. This method employs a multi-stage approach, including machine learning predictions and advanced theoretical calculations, identifying 11 promising photocatalysts. The paper titled is titled ML-Aided Computational Screening of 2D Materials for Photocatalytic Water Splitting and is published in The Journal of Physical Chemistry Letters. Its pre-print version is freely accessible on ChemRxiv.
