Search Results for author: Giovanni Pizzi

Found 5 papers, 3 papers with code

Machine-learning accelerated identification of exfoliable two-dimensional materials

no code implementations18 Jul 2022 Mohammad Tohidi Vahdat, Kumar Agrawal Varoon, Giovanni Pizzi

It is thus crucial to be able to identify accurately and efficiently if bulk three-dimensional (3D) materials are formed by layers held together by a weak binding energy that, thus, can be potentially exfoliated into 2D materials.

BIG-bench Machine Learning Vocal Bursts Valence Prediction

Materials Cloud, a platform for open computational science

no code implementations27 Mar 2020 Leopold Talirz, Snehal Kumbhar, Elsa Passaro, Aliaksandr V. Yakutovich, Valeria Granata, Fernando Gargiulo, Marco Borelli, Martin Uhrin, Sebastiaan P. Huber, Spyros Zoupanos, Carl S. Adorf, Casper W. Andersen, Ole Schütt, Carlo A. Pignedoli, Daniele Passerone, Joost VandeVondele, Thomas C. Schulthess, Berend Smit, Giovanni Pizzi, Nicola Marzari

Materials Cloud is a platform designed to enable open and seamless sharing of resources for computational science, driven by applications in materials modelling.

Materials Science Computational Physics J.2; I.6; H.4

Automated high-throughput Wannierisation

2 code implementations1 Sep 2019 Valerio Vitale, Giovanni Pizzi, Antimo Marrazzo, Jonathan R. Yates, Nicola Marzari, Arash A. Mostofi

Maximally-localised Wannier functions (MLWFs) are routinely used to compute from first-principles advanced materials properties that require very dense Brillouin zone integration and to build accurate tight-binding models for scale-bridging simulations.

Computational Physics Materials Science

Band structure diagram paths based on crystallography

2 code implementations20 Feb 2016 Yoyo Hinuma, Giovanni Pizzi, Yu Kumagai, Fumiyasu Oba, Isao Tanaka

An algorithm, for any crystal, to derive a unique description of the crystal structure together with a recommended band path is indispensable for this task.

Materials Science

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