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Publications (25)
- Machine Learning-Guided Prediction of Low-Barrier N2 and CO2 Activation for Catalyst Design Save
- Methanol at Water–TiO2 Interfaces: Free Energies of Water and Methanol Dissociation Save
- On the Predictability and Fundamental Insights of Adsorption Models: Current Status and the Path Ahead Save
- Computational Modeling of Solid–Liquid Interfaces: From Ab Initio Methods to Machine-Learning Potentials Save
- Effect of Ambient Organic Acids on the Water Structure at TiO2${\rm TiO}_{2}$ Interfaces Save
- Effect of Ambient Organic Acids on the Water Structure at TiO2${\rm TiO}_{2}$ Interfaces Save
- Are formic and acetic acid covered TiO2 surfaceshydrophobic? Save
- Insights into the structure and dynamics of K+ ions at the muscovite–water interface from machine learning potential simulations Save
- Adsorption model for atoms and molecules on doped semiconducting oxides Save
- Acid–Base Chemistry of a Model IrO2 Catalytic Interface Save