Novel materials in the Materials Cloud 2D database

Campi , Davide and Mounet , Nicolas and Gibertini , Marco and Pizzi
arXiv preprint arXiv:2210.11301

2022
Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds

Ivano Eligio Castelli , Andrius Merkys , Andrius Merkys , Davide Campi
Nature Nanotechnology 13 ( 3) 246 -252

1,314
2018
Band structure diagram paths based on crystallography

Fumiyasu Oba , Fumiyasu Oba , Yu Kumagai , Isao Tanaka
Bulletin of the American Physical Society 2017

449
2017
Novel two-dimensional materials from high-throughput computational exfoliation

Andrea Cepellotti , Nicola Marzari , Thibault Sohier , Marco Gibertini
Bulletin of the American Physical Society

2020
Driving exascale computational science with AiiDA

Nicola Marzari , Giovanni Pizzi , Sebastiaan Huber
Bulletin of the American Physical Society

2020
Curvature effects on valley splitting and degeneracy lifting: Case of Si/Ge rolled-up nanotubes

Giovanni Pizzi , Michele Virgilio , Giuseppe Grosso , Suwit Kiravittaya
Physical Review B 85 ( 7) 075308 -075314

1
2012
Quantum-confined direct-gap transitions in tensile-strained Ge/SiGe multiple quantum wells

Lee Carroll , Florian Imbert , Hans Sigg , Martin Süess
Applied Physics Letters 99 ( 3) 031907

19
2011
Magnetic field control of intersubband polaritons in narrow-gap semiconductors

Giovanni Pizzi , Francesca Carosella , Gérald Bastard , Robson Ferreira
Physical Review B 83 ( 24) 245318

2011
Origins of visible‐light emissions in porous silicon

Nacir Tit , Zain H. Yamani , Giovanni Pizzi , Michele Virgilio
Physica Status Solidi (c) 9 ( 6) 1458 -1461

2
2012
Valley-Engineering Mobilities in Two-Dimensional Materials.

Thibault Sohier , Marco Gibertini , Davide Campi , Giovanni Pizzi
Nano Letters 19 ( 6) 3723 -3729

8
2019
Optical absorption spectra of ultrathin PTCDA films on gold single crystals: Charge transfer beyond the first monolayer

Roman Forker , Christian Golnik , Giovanni Pizzi , Thomas Dienel
Organic Electronics 10 ( 8) 1448 -1453

20
2009
Wannier90 as a community code: new features and applications

Lorenzo Paulatto , Samuel Poncé , Thomas Ponweiser , Junfeng Qiao
Journal of Physics: Condensed Matter 32 ( 16) 165902

716
2020
Optical gain in short period Si/Ge superlattices on [001]-SiGe substrates

Michele Virgilio , Giovanni Pizzi , Giuseppe Grosso
Journal of Applied Physics 110 ( 8) 083105 -083112

6
2011
AiiDA: automated interactive infrastructure and database for computational science

Giovanni Pizzi , Andrea Cepellotti , Riccardo Sabatini , Nicola Marzari
Computational Materials Science 111 218 -230

489
2016
A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD

Andrius Merkys , Nicolas Mounet , Andrea Cepellotti , Nicola Marzari
Journal of Cheminformatics 9 ( 1) 1 -11

21
2017
Provenance, workflows, and crystallographic tools in materials science: AiiDA, spglib, and seekpath

Giovanni Pizzi , Atsushi Togo , Boris Kozinsky
Mrs Bulletin 43 ( 9) 696 -702

4
2018
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
Computer Physics Communications 185 ( 1) 422 -429

161
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
Computer Physics Communications 185 ( 8) 2309 -2310

1,531
2014