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2020 – today
- 2024
[i5]Martin Uhrin, Austin Zadoks
, Luca Binci, Nicola Marzari, Iurii Timrov:
Machine learning Hubbard parameters with equivariant neural networks. CoRR abs/2406.02457 (2024)- 2022
- [j9]Iurii Timrov, Nicola Marzari, Matteo Cococcioni:
HP - A code for the calculation of Hubbard parameters using density-functional perturbation theory. Comput. Phys. Commun. 279: 108455 (2022) - 2021
- [j8]Sokseiha Muy, Nicola Marzari:
On the design of solid-state Li-ion batteries. Nat. Comput. Sci. 1(3): 179-180 (2021) - 2020
- [i4]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 abs/2003.12476 (2020) - [i3]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 abs/2007.10312 (2020)
2010 – 2019
- 2019
- [j7]Gianluca Prandini, Mario Galante, Nicola Marzari, Paolo Umari:
SIMPLE code: Optical properties with optimal basis functions. Comput. Phys. Commun. 240: 106-119 (2019) - [i2]Robert J. N. Baldock, Nicola Marzari:
Bayesian Neural Networks at Finite Temperature. CoRR abs/1904.04154 (2019) - 2018
- [c1]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: 1-2 - 2017
- [j6]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): 56:1-56:11 (2017) - 2015
- [i1]Giovanni Pizzi, Andrea Cepellotti, Riccardo Sabatini, Nicola Marzari, Boris Kozinsky:
AiiDA: Automated Interactive Infrastructure and Database for Computational Science. CoRR abs/1504.01163 (2015) - 2014
- [j5]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): 422-429 (2014) - [j4]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): 2309-2310 (2014) - [j3]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): 2311-2312 (2014) - 2011
- [j2]Matthew Shelley, Nicolas Poilvert, Arash A. Mostofi, Nicola Marzari:
Automated quantum conductance calculations using maximally-localised Wannier functions. Comput. Phys. Commun. 182(10): 2174-2183 (2011)
2000 – 2009
- 2008
- [j1]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): 685-699 (2008)
Coauthor Index
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