| First-principles investigation of hydrogen trapping and diffusion at grain boundaries in nickel D Di Stefano, M Mrovec, C Elsässer Acta Materialia 98, 306-312, 2015 | 160 | 2015 |
| First-principles investigation of hydrogen interaction with TiC precipitates in -Fe D Di Stefano, R Nazarov, T Hickel, J Neugebauer, M Mrovec, C Elsässer Physical Review B 93 (18), 184108, 2016 | 136 | 2016 |
| Superionic diffusion through frustrated energy landscape D Di Stefano, A Miglio, K Robeyns, Y Filinchuk, M Lechartier, A Senyshyn, ... Chem 5 (9), 2450-2460, 2019 | 112 | 2019 |
| OPTIMADE, an API for exchanging materials data CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ... Scientific data 8 (1), 217, 2021 | 80 | 2021 |
| The limited predictive power of the Pauling rules J George, D Waroquiers, D Di Stefano, G Petretto, GM Rignanese, ... Angewandte Chemie 132 (19), 7639-7645, 2020 | 62 | 2020 |
| First-principles investigation of quantum mechanical effects on the diffusion of hydrogen in iron and nickel D Di Stefano, M Mrovec, C Elsässer Physical Review B 92 (22), 224301, 2015 | 60 | 2015 |
| Density functional theory calculations of iron-vanadium carbide interfaces and the effect of hydrogen SE Restrepo, D Di Stefano, M Mrovec, AT Paxton International Journal of Hydrogen Energy 45 (3), 2382-2389, 2020 | 41 | 2020 |
| First-principles investigation of hydrogen interaction with metals D Di Stefano Dissertation, Albert-Ludwigs-Universität Freiburg, 2016, 2016 | 4 | 2016 |
| Li diffusion in Si and LiSi: Nuclear quantum effects and anharmonicity V Kumar, D Di Stefano, GM Rignanese, X Gonze The Journal of Chemical Physics 152 (24), 2020 | 3 | 2020 |
| Industrially-Relevant Multiscale Modeling of Hydrogen Assisted Degradation N Winzer, D Di Stefano, M Mrovec, I Katzarov, A Paxton International Hydrogen Conference (IHC 2012)(ASME Press, 2014), 2014 | 1 | 2014 |
| Method for producing a solid electrolyte material and a solid electrolyte for solid state batteries Y Katoh, G Hautier, D Di Stefano, Y Filinchuk US Patent 11,916,190, 2024 | | 2024 |
| Solid electrolyte material for solid state batteries, solid electrolyte and solid state battery Y Katoh, G Hautier, D Distefano, Y Filinchuk US Patent App. 16/977,492, 2021 | | 2021 |
| Very High Lithium Diffusion in LiTi2(PS4)3 through Energy Landscape Frustration G Hautier, D Di Stefano, A Miglio, K Robeyns, Y Filinchuk, M Lechartier, ... Electrochemical Society Meeting Abstracts 237, 79-79, 2020 | | 2020 |
| MS14-P01| REASSESSING PAULING'S RULES D Di Stefano, GM Rignanese Foundations of Crystallography 75, e209, 2019 | | 2019 |
| First-Principles Approach to Lithium Diffusion in Silicon V Kumar, D Di Stefano, GM Rignanese, X Gonze Electrochemical Society Meeting Abstracts 233, 468-468, 2018 | | 2018 |
