Davide Di Stefano

Ansys (United Kingdom) — United Kingdom

Materials Science · Physical Sciences

7h-index721citations26works0.02yr avg
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Research Topics

Machine Learning in Materials Science(7), Hydrogen embrittlement and corrosion behaviors in metals(5), X-ray Diffraction in Crystallography(5), Advancements in Battery Materials(3), Nuclear Materials and Properties(3)

Publications26 total

Streamlining Multi-scale Materials Modeling: The MUSICODE Low-Code Approach for Simulation Workflows and Executable MODAs
Integrating materials and manufacturing innovation·2025Open Access
MarketPlace - a Digital Materials Modelling Marketplace
Zenodo (CERN European Organization for Nuclear Research)·2023· 1 citedOpen Access
OPTIMADE, an API for exchanging materials data
Repository KITopen (Karlsruhe Institute of Technology)·2021· 91 citedOpen Access
Li diffusion in Si and LiSi: Nuclear quantum effects and anharmonicity
The Journal of Chemical Physics·2020· 4 citedOpen Access
Very High Lithium Diffusion in LiTi<sub>2</sub>(PS<sub>4</sub>)<sub>3</sub> through Energy Landscape Frustration
ECS Meeting Abstracts·2020
The Limited Predictive Power of the Pauling Rules
Angewandte Chemie International Edition·2020· 83 citedOpen Access
The Limited Predictive Power of the Pauling Rules
Angewandte Chemie·2020· 43 citedOpen Access
Data corresponding to the publication "The limited predictive power of the Pauling Rules"
Zenodo (CERN European Organization for Nuclear Research)·2020Open Access
Data corresponding to the publication "The limited predictive power of the Pauling Rules"
Figshare·2020Open Access
Density functional theory calculations of iron - vanadium carbide interfaces and the effect of hydrogen
International Journal of Hydrogen Energy·2019· 62 cited
The Limited Predictive Power of the Pauling Rules
2019· 1 citedOpen Access
Reassessing Pauling's rules
Acta Crystallographica Section A Foundations and Advances·2019Open Access
The Limited Predictive Power of the Pauling Rules
2019Open Access
The Limited Predictive Power of the Pauling Rules
2019· 2 citedOpen Access
Superionic Diffusion through Frustrated Energy Landscape
Chem·2019Open Access
CSD 1940847: Experimental Crystal Structure Determination
The Cambridge Structural Database·2019Open Access
CSD 1940846: Experimental Crystal Structure Determination
The Cambridge Structural Database·2019Open Access
First-Principles Approach to Lithium Diffusion in Silicon
ECS Meeting Abstracts·2018
Superionic diffusion through frustrated energy landscape
arXiv (Cornell University)·2017· 6 citedOpen Access
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
Physical review. B./Physical review. B·2016· 171 citedOpen Access
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Frequent Co-authors

Geoffroy Hautier(14), Gian‐Marco Rignanese(11), David Waroquiers(9), Guido Petretto(8), Janine George(8), Matous Mrovec(5), Anna Miglio(5), Koen Robeyns(5), Yaroslav Filinchuk(5), Marine Lechartier(5), Stefan Spannenberger(5), Anatoliy Senyshyn(4), Bernhard Roling(4), Denise Prutsch(4), Daniel Rettenwander(4), Martin Wilkening(4), Christian Elsässer(3), A. T. Paxton(2), Vishank Kumar(2), Xavier Gonze(2)