Guido Petretto

TiGenix (Spain) — Spain

Chemistry · Physical Sciences

19h-index2.9kcitations128works16.52yr avg
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Research Topics

Chemistry and Stereochemistry Studies(30), Machine Learning in Materials Science(24), Scientific Measurement and Uncertainty Evaluation(17), Radioactive Decay and Measurement Techniques(8), Semiconductor Quantum Structures and Devices(7)

Publications128 total

Abinit 2025: New capabilities for the predictive modeling of solids and nanomaterials
The Journal of Chemical Physics·2025· 5 citedOpen Access
Accelerated data-driven materials science with the Materials Project
Nature Materials·2025· 85 citedOpen Access
Atomate2: Modular workflows for materials science
2025· 8 citedOpen Access
Atomate2: modular workflows for materials science
Digital Discovery·2025· 19 citedOpen Access
Correction: Atomate2: modular workflows for materials science
Digital Discovery·2025Open Access
An ensemble machine learning approach for predicting heart failure risk in acute coronary syndrome patients: heartguardai
European Heart Journal·2024· 1 cited
Causal association between visceral fat and coronary artery disease: a large-scale mendelian randomization analysis
European Heart Journal·2024· 2 cited
Second-harmonic generation tensors from high-throughput density-functional perturbation theory
Scientific Data·2024· 12 citedOpen Access
Second-harmonic generation tensors from high-throughput density-functional perturbation theory
2024· 2 citedOpen Access
Combination of ab initio descriptors and machine learning approach for the prediction of the plasticity mechanisms in β-metastable Ti alloys
Materials & Design·2024· 17 citedOpen Access
Jobflow: Computational Workflows Made Simple
The Journal of Open Source Software·2024· 31 citedOpen Access
How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
Nature Reviews Physics·2023· 64 citedOpen Access
Modeling symmetric and defect-free carbon schwarzites into various zeolite templates
Carbon·2023· 2 citedOpen Access
How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
arXiv (Cornell University)·2023· 5 citedOpen Access
Crystal Toolkit: A Web App Framework to Improve Usability and Accessibility of Materials Science Research Algorithms
arXiv (Cornell University)·2023· 8 citedOpen Access
Automated Bonding Analysis with Crystal Orbital Hamilton Populations
ChemPlusChem·2022· 9 cited
Front Cover: Automated Bonding Analysis with Crystal Orbital Hamilton Populations (ChemPlusChem 11/2022)
ChemPlusChem·2022
Automated Bonding Analysis with Crystal Orbital Hamilton Populations
ChemPlusChem·2022· 53 citedOpen Access
First-principles investigation of CZTS Raman spectra
Physical Review Materials·2022· 10 citedOpen Access
Automated Bonding Analysis with Crystal Orbital Hamilton Populations
2022· 1 citedOpen Access
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Frequent Co-authors

Gian‐Marco Rignanese(34), Geoffroy Hautier(27), Janine George(13), David Waroquiers(11), Anubhav Jain(10), Kristin A. Persson(8), Xavier Gonze(7), Matteo Giantomassi(7), Davide Di Stefano(6), Patrick Huck(6), M. Fanciulli(6), Fabien Bruneval(5), Henrique Miranda(5), Shyue Ping Ong(5), Francesco Ricci(5), Alex M. Ganose(5), Aakash Ashok Naik(5), Victor Trinquet(5), Éric Bousquet(4), Guillaume Brunin(4)