Nicola Marzari

Publication Activity (10 Years)

Years Active: 2008-2024
Publications (10 Years): 10

Top Topics

Perturbation Theory

Optical Properties

Basis Functions

Top Venues

Comput. Phys. Commun.

J. Cheminformatics

Publications

Martin Uhrin, Austin Zadoks, Luca Binci, Nicola Marzari, Iurii Timrov
Machine learning Hubbard parameters with equivariant neural networks. CoRR (2024)
Iurii Timrov, Nicola Marzari, Matteo Cococcioni
HP - A code for the calculation of Hubbard parameters using density-functional perturbation theory. Comput. Phys. Commun. 279 (2022)
Sokseiha Muy, Nicola Marzari
On the design of solid-state Li-ion batteries. Nat. Comput. Sci. 1 (3) (2021)
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
AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance. CoRR (2020)
Martin Uhrin, Sebastiaan P. Huber, Jusong Yu, Nicola Marzari, Giovanni Pizzi
Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows. CoRR (2020)
Robert J. N. Baldock, Nicola Marzari
Bayesian Neural Networks at Finite Temperature. CoRR (2019)
Gianluca Prandini, Mario Galante, Nicola Marzari, Paolo Umari
SIMPLE code: Optical properties with optimal basis functions. Comput. Phys. Commun. 240 (2019)
C. Klinkert, A. Szabo, D. Campi, C. Stieger, Nicola Marzari, Mathieu Luisier
Novel 2-D Materials for Tunneling FETs: an Ab-initio Study. DRC (2018)
Andrius Merkys, Nicolas Mounet, Andrea Cepellotti, Nicola Marzari, Saulius Grazulis, Giovanni Pizzi
A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD. J. Cheminformatics 9 (1) (2017)
Giovanni Pizzi, Andrea Cepellotti, Riccardo Sabatini, Nicola Marzari, Boris Kozinsky
AiiDA: Automated Interactive Infrastructure and Database for Computational Science. CoRR (2015)
Arash A. Mostofi, Jonathan R. Yates, Giovanni Pizzi, Young-Su Lee, Ivo Souza, David Vanderbilt, Nicola Marzari
An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions. Comput. Phys. Commun. 185 (8) (2014)
Giovanni Pizzi, Dmitri Volja, Boris Kozinsky, Marco Fornari, Nicola Marzari
An updated version of BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis. Comput. Phys. Commun. 185 (8) (2014)
Giovanni Pizzi, Dmitri Volja, Boris Kozinsky, Marco Fornari, Nicola Marzari
BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis. Comput. Phys. Commun. 185 (1) (2014)
Matthew Shelley, Nicolas Poilvert, Arash A. Mostofi, Nicola Marzari
Automated quantum conductance calculations using maximally-localised Wannier functions. Comput. Phys. Commun. 182 (10) (2011)
Arash A. Mostofi, Jonathan R. Yates, Young-Su Lee, Ivo Souza, David Vanderbilt, Nicola Marzari
wannier90: A tool for obtaining maximally-localised Wannier functions. Comput. Phys. Commun. 178 (9) (2008)