Giovanni Pizzi

École Polytechnique Fédérale de Lausanne — Switzerland

Materials Science · Physical Sciences

26h-index7.7kcitations136works3.82yr avg
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Research Topics

Machine Learning in Materials Science(52), Scientific Computing and Data Management(29), Electronic and Structural Properties of Oxides(13), Catalysis and Oxidation Reactions(12), Research Data Management Practices(12)

Publications136 total

MC3D: the materials cloud computational database of experimentally known stoichiometric inorganics
Digital Discovery·2026Open Access
Robust Wannierization including magnetization and spin-orbit coupling via projectability disentanglement
npj Computational Materials·2025· 1 citedOpen Access
Massive Atomic Diversity: a compact universal dataset for atomistic machine learning
Scientific Data·2025· 2 citedOpen Access
The Interoperability Challenge in DFT Workflows Across Implementations
arXiv (Cornell University)·2025Open Access
Recommendation on how to implement the DataCite Metadata Schema for research data
2025Open Access
Author response for "A Python workflow definition for computational materials design"
2025
Charting the Landscape of Bardeen-Cooper-Schrieffer Superconductors in Experimentally Known Compounds
PRX Energy·2025· 2 citedOpen Access
Quantifying electronic and geometric effects on the activity of platinum catalysts for water-gas shift
Nature Communications·2025· 4 citedOpen Access
scicode-widgets: Bringing Computational Experiments to the Classroom with Jupyter Widgets
arXiv (Cornell University)·2025Open Access
A terminology for scientific workflow systems
Future Generation Computer Systems·2025· 11 citedOpen Access
Massive Atomic Diversity: a compact universal dataset for atomistic machine learning
ArXiv.org·2025· 1 citedOpen Access
A Terminology for Scientific Workflow Systems
Research Portal (King's College London)·2025Open Access
A Python workflow definition for computational materials design
arXiv (Cornell University)·2025Open Access
Electronic structure calculations for muon spectroscopy<sup>*</sup>
Electronic Structure·2025· 1 citedOpen Access
Accurate and efficient protocols for high-throughput first-principles materials simulations
ArXiv.org·2025· 1 citedOpen Access
Author response for "Automated computational workflows for muon spin spectroscopy"
2025
Automated computational workflows for muon spin spectroscopy
Digital Discovery·2025· 3 citedOpen Access
A python workflow definition for computational materials design
Digital Discovery·2025Open Access
Wannier-function software ecosystem for materials simulations
Reviews of Modern Physics·2024· 18 citedOpen Access
Author response for "Automated computational workflows for muon spin spectroscopy"
2024
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Frequent Co-authors

Nicola Marzari(27), Marco Gibertini(9), Michele Virgilio(9), Giuseppe Grosso(8), Antimo Marrazzo(6), Boris Kozinsky(6), Sebastiaan P. Huber(6), Giovanni Capellini(6), Arash A. Mostofi(5), Ivano E. Castelli(5), Junfeng Qiao(5), Marco Fornari(5), M. De Seta(5), Michele Ortolani(5), Jonathan R. Yates(4), Davide Campi(4), Andrius Merkys(4), Leopold Talirz(4), Casper Welzel Andersen(4), Gian‐Marco Rignanese(4)