| Machine learning stability and bandgaps of lead‐free perovskites for photovoltaics JC Stanley, F Mayr, A Gagliardi Advanced Theory and Simulations 3 (1), 1900178, 2020 | 45 | 2020 |
| Oxygen reduction activities of strained platinum core–shell electrocatalysts predicted by machine learning M Rück, B Garlyyev, F Mayr, AS Bandarenka, A Gagliardi The Journal of Physical Chemistry Letters 11 (5), 1773-1780, 2020 | 33 | 2020 |
| Machine Learning and Optoelectronic Materials Discovery: A Growing Synergy F Mayr, M Harth, I Kouroudis, M Rinderle, A Gagliardi The Journal of Physical Chemistry Letters 13 (8), 1940-1951, 2022 | 14 | 2022 |
| Adsorption and sensing properties of SF6 decomposed gases on Mg-MOF-74 S Thomas, F Mayr, A Gagliardi Solid State Communications 363, 115120, 2023 | 6 | 2023 |
| Global property prediction: a benchmark study on open-source, perovskite-like datasets F Mayr, A Gagliardi ACS omega 6 (19), 12722-12732, 2021 | 5 | 2021 |
| Machine learning and DFT investigation of CO, CO 2 and CH 4 adsorption on pristine and defective two-dimensional magnesene S Thomas, F Mayr, AK Madam, A Gagliardi Physical Chemistry Chemical Physics 25 (18), 13170-13182, 2023 | 3 | 2023 |
