Nicola Marzari

According to our database, Nicola Marzari authored at least 21 papers between 2008 and 2026.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2026

optimade-maker: Automated generation of interoperable materials APIs from static data.

Kristjan Eimre, Matthew L. Evans, Bud Macaulay, Xing Wang, Jusong Yu, Nicola Marzari, Gian-Marco Rignanese, Giovanni Pizzi

CoRR, March, 2026

2025

AiiDAlab: on the route to accelerate science.

Aliaksandr V. Yakutovich, Jusong Yu, Daniel Hollas, Edan Bainglass, Corsin Battaglia, Miki Bonacci, Lucas Fernandez Vilanova, Stephan Henne, Anders Kaestner, Michel Kenzelmann, Graham Kimbell, Jakob Lass, Fabio Lopes, Daniel G. Mazzone, Andres Ortega-Guerrero, Xing Wang, Nicola Marzari, Carlo A. Pignedoli, Giovanni Pizzi

CoRR, December, 2025

Implementing a Scalable, Redeployable and Multitiered Repository for FAIR and Secure Scientific Data Sharing: The BIG-MAP Archive.

Valeria Granata, Francois Liot, Xing Wang, Steen Lysgaard, Ivano E. Castelli, Tejs Vegge, Nicola Marzari, Giovanni Pizzi

CoRR, December, 2025

AI4X Roadmap: Artificial Intelligence for the advancement of scientific pursuit and its future directions.

Stephen G. Dale, Nikita Kazeev, Alastair J. A. Price, Victor Posligua, Stephan Roche, O. Anatole von Lilienfeld, Konstantin S. Novoselov, Xavier Bresson, Gianmarco Mengaldo, Xudong Chen, Terence J. O'Kane, Emily R. Lines, Matthew J. Allen, Amandine E. Debus, Clayton Miller, Jiayu Zhou, Hiroko H. Dodge, David Rousseau, Andrey Ustyuzhanin, Ziyun Yan, Mario Lanza, Fabio Sciarrino, Ryo Yoshida, Zhidong Leong, Teck Leong Tan, Qianxiao Li, Adil Kabylda, Igor Poltavsky, Alexandre Tkatchenko, Sherif Abdulkader Tawfik, Prathami Divakar Kamath, Théo Jaffrelot Inizan, Kristin A. Persson, Bryant Y. Li, Vir Karan, Chenru Duan, Haojun Jia, Qiyuan Zhao, Hiroyuki Hayashi, Atsuto Seko, Isao Tanaka, Omar M. Yaghi, Tim Gould, Bun Chan, Stefan Vuckovic, Tianbo Li, Min Lin, Zehcen Tang, Yang Li, Yong Xu, Amrita Joshi, Xiaonan Wang, Leonard W. T. Ng, Sergei V. Kalinin, Mahshid Ahmadi, Jiyizhe Zhang, Shuyuan Zhang, Alexei A. Lapkin, Ming Xiao, Zhe Wu, Kedar Hippalgaonkar, Limsoon Wong, Lorenzo Bastonero, Nicola Marzari, Dorye Luis Esteras Cordoba, Andrei Tomut, Alba Quinones Andrade, Jose-Hugo Garcia

CoRR, November, 2025

Quantum Geometry of Data.

Alexander G. Abanov, Luca Candelori, Harold C. Steinacker, Martin T. Wells, Jerome R. Busemeyer, Cameron J. Hogan, Vahagn Kirakosyan, Nicola Marzari, Sunil Pinnamaneni, Dario Villani, Mengjia Xu, Kharen Musaelian

CoRR, July, 2025

MaX - Materials design at the exascale - a EuroHPC Centre of Excellence: Recent selected results: Invited Paper.

Lubomir Riha, Ada Böhm, Ondrej Vysocky, Filip Vaverka, Elisabetta Boella, Daniele Gregori, Mattia Paladino, Pietro Delugas, Oscar Baseggio, Stefano Baroni, Francesco Andreucci, Kaveh Haghighi Mood, Andreas Herten, Gregor Michalicek, Daniel Wortmann, Stefan Blügel, Pablo Ordejón, Federico N. Pedron, Jose Julio Gutierrez Moreno, Rogeli Grima Torres, Fabio Affinito, Mariella Ippolito, Paolo Giannozzi, Luigi Genovese, Fabrizio Ferrari-Ruffino, Ivan Carnimeo, Marc Sergent, Erwan Raffin, Ivan Girotto, Alberto García, Jan Jona Javorsek, Barbara Krasovec, Alja Prah, Sebastien Strban, Augustin Degomme, Cristiano Malica, Lorenzo Bastonero, Nicola Marzari, Nicola Spallanzani, Daniele Varsano, Andrea Ferretti, Elisa Molinari

Proceedings of the 22nd ACM International Conference on Computing Frontiers: Workshops and Special Sessions, 2025

2024

Machine learning Hubbard parameters with equivariant neural networks.

Martin Uhrin, Austin Zadoks, Luca Binci, Nicola Marzari, Iurii Timrov

CoRR, 2024

2022

HP - A code for the calculation of Hubbard parameters using density-functional perturbation theory.

Iurii Timrov, Nicola Marzari, Matteo Cococcioni

Comput. Phys. Commun., 2022

2021

On the design of solid-state Li-ion batteries.

Sokseiha Muy, Nicola Marzari

Nat. Comput. Sci., 2021

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

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, Fernando Gargiulo, Snehal Kumbhar, Elsa Passaro, Conrad Johnston, Andrius Merkys, Andrea Cepellotti, Nicolas Mounet, Nicola Marzari, Boris Kozinsky, Giovanni Pizzi

CoRR, 2020

2019

SIMPLE code: Optical properties with optimal basis functions.

Gianluca Prandini, Mario Galante, Nicola Marzari, Paolo Umari

Comput. Phys. Commun., 2019

Bayesian Neural Networks at Finite Temperature.

Robert J. N. Baldock, Nicola Marzari

CoRR, 2019

2018

Novel 2-D Materials for Tunneling FETs: an Ab-initio Study.

C. Klinkert, A. Szabo, D. Campi, C. Stieger, Nicola Marzari, Mathieu Luisier

Proceedings of the 76th Device Research Conference, 2018

2017

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

2015

AiiDA: Automated Interactive Infrastructure and Database for Computational Science.

Giovanni Pizzi, Andrea Cepellotti, Riccardo Sabatini, Nicola Marzari, Boris Kozinsky

CoRR, 2015

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

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 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

2011

Automated quantum conductance calculations using maximally-localised Wannier functions.

Matthew Shelley, Nicolas Poilvert, Arash A. Mostofi, Nicola Marzari

Comput. Phys. Commun., 2011

2008

wannier90: A tool for obtaining maximally-localised Wannier functions.

Arash A. Mostofi, Jonathan R. Yates, Young-Su Lee, Ivo Souza, David Vanderbilt, Nicola Marzari

Comput. Phys. Commun., 2008