An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions. - Arash A. Mostofi; Jonathan R. Yates; Giovanni Pizzi; Young-Su Lee; Ivo Souza; David Vanderbilt; Nicola Marzari (Comput. Phys. Commun., 2014)

BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis. - Giovanni Pizzi; Dmitri Volja; Boris Kozinsky; Marco Fornari; Nicola Marzari (Comput. Phys. Commun., 2014)

An updated version of BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis. - Giovanni Pizzi; Dmitri Volja; Boris Kozinsky; Marco Fornari; Nicola Marzari (Comput. Phys. Commun., 2014)

AiiDA: Automated Interactive Infrastructure and Database for Computational Science. - Giovanni Pizzi; Andrea Cepellotti; Riccardo Sabatini; Nicola Marzari; Boris Kozinsky (CoRR, 2015)

A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD. - Andrius Merkys; Nicolas Mounet; Andrea Cepellotti; Nicola Marzari; Saulius Grazulis; Giovanni Pizzi (J. Cheminformatics, 2017)

AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance. - Sebastiaan P. Huber; Spyros Zoupanos; Martin Uhrin; Leopold Talirz; Leonid Kahle; Rico Häuselmann; Dominik Gresch; Tiziano Müller; Aliaksandr V. Yakutovich; Casper W. Andersen; Francisco F. Ramirez; Carl S. Adorf; et al. (CoRR, 2020)

Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows. - Martin Uhrin; Sebastiaan P. Huber; Jusong Yu; Nicola Marzari; Giovanni Pizzi (CoRR, 2020)

Machine-learning accelerated identification of exfoliable two-dimensional materials. - Mohammad Tohidi Vahdat; Kumar Agrawal Varoon; Giovanni Pizzi (Mach. Learn. Sci. Technol., 2022)

OSSCAR, an open platform for collaborative development of computational tools for education in science. - Dou Du; Taylor J. Baird; Sara Bonella; Giovanni Pizzi (Comput. Phys. Commun., 2023)

Jupyter widgets and extensions for education and research in computational physics and chemistry. - Dou Du; Taylor J. Baird; Kristjan Eimre; Sara Bonella; Giovanni Pizzi (Comput. Phys. Commun., 2024)

A Python workflow definition for computational materials design. - Jan Janssen; Janine George; Julian Geiger; Marnik Bercx; Xing Wang; Christina Ertural; Jörg Schaarschmidt; Alex M. Ganose; Giovanni Pizzi; Tilmann Hickel; Jörg Neugebauer (CoRR, 2025)

A terminology for scientific workflow systems. - Frédéric Suter; Tainã Coleman; Ilkay Altintas; Rosa M. Badia; Bartosz Balis; Kyle Chard; Iacopo Colonnelli; Ewa Deelman; Paolo Di Tommaso; Thomas Fahringer; Carole A. Goble; Shantenu Jha; et al. (Future Gener. Comput. Syst., 2026)