Articoli con mandati relativi all'accesso pubblico - Giovanni PizziUlteriori informazioni
Disponibili pubblicamente: 44
Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds
N Mounet, M Gibertini, P Schwaller, D Campi, A Merkys, A Marrazzo, ...
Nature nanotechnology 13 (3), 246-252, 2018
Mandati: Swiss National Science Foundation, European Commission
Wannier90 as a community code: new features and applications
G Pizzi, V Vitale, R Arita, S Blügel, F Freimuth, G Géranton, M Gibertini, ...
Journal of Physics: Condensed Matter 32 (16), 165902, 2020
Mandati: Swiss National Science Foundation, European Commission
AiiDA: automated interactive infrastructure and database for computational science
G Pizzi, A Cepellotti, R Sabatini, N Marzari, B Kozinsky
Computational Materials Science 111, 218-230, 2016
Mandati: US Department of Energy
Materials Cloud, a platform for open computational science
L Talirz, S Kumbhar, E Passaro, AV Yakutovich, V Granata, F Gargiulo, ...
Scientific data 7 (1), 299, 2020
Mandati: Swiss National Science Foundation, European Commission, Governo Italiano
AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance
SP Huber, S Zoupanos, M Uhrin, L Talirz, L Kahle, R Häuselmann, ...
Scientific data 7 (1), 300, 2020
Mandati: Swiss National Science Foundation, European Commission
Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows
M Uhrin, SP Huber, J Yu, N Marzari, G Pizzi
Computational Materials Science 187, 110086, 2021
Mandati: Swiss National Science Foundation
OPTIMADE, an API for exchanging materials data
CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ...
Scientific data 8 (1), 217, 2021
Mandati: US National Science Foundation, US Department of Energy, Swiss National …
AiiDAlab–an ecosystem for developing, executing, and sharing scientific workflows
AV Yakutovich, K Eimre, O Schütt, L Talirz, CS Adorf, CW Andersen, ...
Computational Materials Science 188, 110165, 2021
Mandati: Swiss National Science Foundation, European Commission, Governo Italiano
Automated high-throughput Wannierisation
V Vitale, G Pizzi, A Marrazzo, JR Yates, N Marzari, AA Mostofi
npj Computational Materials 6 (1), 66, 2020
Mandati: Swiss National Science Foundation, UK Engineering and Physical Sciences …
Workflow Engineering in Materials Design within the BATTERY 2030+ Project
J Schaarschmidt, J Yuan, T Strunk, I Kondov, SP Huber, G Pizzi, L Kahle, ...
Advanced Energy Materials 12 (17), 2102638, 2022
Mandati: Swiss National Science Foundation, Danish Council for Independent Research …
Data Management Plans: the Importance of Data Management in the BIG‐MAP Project
IE Castelli, DJ Arismendi‐Arrieta, A Bhowmik, I Cekic‐Laskovic, S Clark, ...
Batteries & Supercaps 4 (12), 1803-1812, 2021
Mandati: German Research Foundation, European Commission
Shear and breathing modes of layered materials
G Pizzi, S Milana, AC Ferrari, N Marzari, M Gibertini
ACS nano 15 (8), 12509-12534, 2021
Mandati: Swiss National Science Foundation, UK Engineering and Physical Sciences …
Valley-engineering mobilities in two-dimensional materials
T Sohier, M Gibertini, D Campi, G Pizzi, N Marzari
Nano letters 19 (6), 3723-3729, 2019
Mandati: Swiss National Science Foundation, European Commission
Optical absorption spectra of ultrathin PTCDA films on gold single crystals: Charge transfer beyond the first monolayer
R Forker, C Golnik, G Pizzi, T Dienel, T Fritz
Organic Electronics 10 (8), 1448-1453, 2009
Mandati: German Research Foundation
Common workflows for computing material properties using different quantum engines
SP Huber, E Bosoni, M Bercx, J Bröder, A Degomme, V Dikan, K Eimre, ...
npj Computational Materials 7 (1), 136, 2021
Mandati: US Department of Energy, Swiss National Science Foundation, European …
A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD
A Merkys, N Mounet, A Cepellotti, N Marzari, S Gražulis, G Pizzi
Journal of Cheminformatics 9 (1), 56, 2017
Mandati: Swiss National Science Foundation, European Commission
Virtual computational chemistry teaching laboratories—hands-on at a distance
R Kobayashi, TPM Goumans, NO Carstensen, TM Soini, N Marzari, ...
Journal of Chemical Education 98 (10), 3163-3171, 2021
Mandati: Swiss National Science Foundation, European Commission
Expansion of the materials cloud 2D database
D Campi, N Mounet, M Gibertini, G Pizzi, N Marzari
ACS nano 17 (12), 11268-11278, 2023
Mandati: Swiss National Science Foundation, European Commission, Governo Italiano
Thermodynamics and dielectric response of BaTiO3 by data-driven modeling
L Gigli, M Veit, M Kotiuga, G Pizzi, N Marzari, M Ceriotti
npj Computational Materials 8 (1), 209, 2022
Mandati: Swiss National Science Foundation
Brokering between tenants for an international materials acceleration platform
M Vogler, J Busk, H Hajiyani, PB Jørgensen, N Safaei, IE Castelli, ...
Matter 6 (9), 2647-2665, 2023
Mandati: German Research Foundation, European Commission
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