Davide Di Stefano

First-principles investigation of hydrogen trapping and diffusion at grain boundaries in nickel

Davide Di Stefano, Matous Mrovec, Christian Elsässer · Acta Materialia · 2015 · 177 citations · Full text

Materials Science, Grain Boundaries, Engineering +8

First-principles investigation of hydrogen interaction with TiC precipitates in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>α</mml:mi></mml:math>-Fe

Davide Di Stefano, Roman Nazarov, Tilmann Hickel et al. · Physical review. B./Physical review. B · 2016 · 171 citations · Full text

Materials Engineering, Materials Science, Chemical Engineering +14

OPTIMADE, an API for exchanging materials data

Casper Welzel Andersen, Rickard Armiento, Evgeny Blokhin et al. · Repository KITopen (Karlsruhe Institute of Technology) · 2021 · 91 citations · Full text

Engineering, Material Selection, Material System +20

The Limited Predictive Power of the Pauling Rules

Janine George, David Waroquiers, Davide Di Stefano et al. · Angewandte Chemie International Edition · 2020 · 83 citations · Full text

Mathematical Programming, Computational Complexity Theory, Engineering +17

First-principles investigation of quantum mechanical effects on the diffusion of hydrogen in iron and nickel

Davide Di Stefano, Matous Mrovec, Christian Elsässer · Physical Review B · 2015 · 67 citations · Full text

Engineering, Bcc Fe, Material Simulation +20