![](https://www.amdlab.nl/wp-content/uploads/2024/06/Yatong-Wang-PhD-Thesis-Cover.png)
PhD Thesis, Yatong Wang (2024)
Data-driven discovery of 2D materials as photocatalysts for water splitting
![](https://www.amdlab.nl/wp-content/uploads/2024/05/H2-evaluation.png)
Bachelor’s Final Project, Marco Brunacci (2024; under embargo)
Bi-metallic catalyst discovery for hydrogen evolution reaction through machine learning-enhanced atomic simulation
![](https://www.amdlab.nl/wp-content/uploads/2024/05/ML-aided-computational-screening-of-2D-materials-for-photocatalytic-water-splitting-1024x1024.jpg)
The Journal of Physical Chemistry Letters 15, 4983 (2024)
ML-aided computational screening of 2D materials for photocatalytic water splitting
![](https://www.amdlab.nl/wp-content/uploads/2022/03/redpred.jpg)
Artificial Intelligence Chemistry 2, 100064 (2024)
RedPred, a machine learning model for the prediction of redox reaction energies of the aqueous organic electrolytes
![](https://www.amdlab.nl/wp-content/uploads/2023/10/2D-direct-gap-photocatalysts-1.png)
Data-driven discovery of intrinsic direct-gap 2D photocatalysts for overall water splitting
![](https://www.amdlab.nl/wp-content/uploads/2023/11/n-type-organic-lithium-ion-positive-electrode-materials-1.png)
Energy & Environmental Science 17, 173 (2024)
Towards the 4 V-class n-type organic lithium-ion positive electrode materials: the case of conjugated triflimides and cyanamides
![](https://www.amdlab.nl/wp-content/uploads/2023/09/Photothermal-molecules.jpg)
Journal of the American Chemical Society 145, 20073 (2023)
Polymer vesicles with integrated photothermal responsiveness
![](https://www.amdlab.nl/wp-content/uploads/2023/04/Table-of-content_LIBs-1024x512.png)
Digital Discovery 2, 1016 (2023)
Discovery of lead quinone cathode materials for Li-ion batteries