Miki Bonacci

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All published works
Action Title Year Authors
+ PDF Chat Automated computational workflows for muon spin spectroscopy 2024 Ifeanyi John Onuorah
Miki Bonacci
Muhammad M. Isah
M. Mazzani
R. De Renzi
Giovanni Pizzi
Pietro BonfĂ 
+ Automated computational workflows for muon spin spectroscopy 2024 Ifeanyi John Onuorah
Miki Bonacci
Muhammad Maikudi Isah
Marcello Mazzani
R. De Renzi
Giovanni Pizzi
Pietro BonfĂ 
+ PDF Chat Quenching of low-energy optical absorption in bilayer <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mrow><mml:mi mathvariant="normal">C</mml:mi></mml:mrow><mml:mn>3</mml:mn></mml:msub><mml:mi mathvariant="normal">N</mml:mi></mml:math> polytypes 2023 Matteo Zanfrognini
Miki Bonacci
Fulvio Paleari
Elisa Molinari
Alice Ruini
Andrea Ferretti
MarĂ­lia Caldas
Daniele Varsano
+ PDF Chat Towards high-throughput many-body perturbation theory: efficient algorithms and automated workflows 2023 Miki Bonacci
Junfeng Qiao
Nicola Spallanzani
Antimo Marrazzo
Giovanni Pizzi
Elisa Molinari
Daniele Varsano
Andrea Ferretti
Deborah Prezzi
+ Towards high-throughput many-body perturbation theory: efficient algorithms and automated workflows 2023 Miki Bonacci
Junfeng Qiao
Nicola Spallanzani
Antimo Marrazzo
Giovanni Pizzi
Elisa Molinari
Daniele Varsano
Andrea Ferretti
Deborah Prezzi
+ Quenching of low-energy optical absorption in bilayer C$_3$N polytypes 2023 Matteo Zanfrognini
Miki Bonacci
Fulvio Paleari
Elisa Molinari
Alice Ruini
Andrea Ferretti
MarĂ­lia Caldas
Daniele Varsano
+ PDF Chat Towards high-throughput many-body perturbation theory: efficient algorithms and automated workflows 2022 Miki Bonacci
Junfeng Qiao
Nicola Spallanzani
Antimo Marrazzo
Giovanni Pizzi
Elisa Molinari
Daniele Varsano
Andrea Ferretti
Deborah Prezzi
+ Excitonic effects in graphene-like C$_3$N 2022 Miki Bonacci
Matteo Zanfrognini
Elisa Molinari
Alice Ruini
MarĂ­lia Caldas
Andrea Ferretti
Daniele Varsano
Common Coauthors
Commonly Cited References
Action Title Year Authors # of times referenced
+ PDF Chat Maximally localized Wannier functions: Theory and applications 2012 Nicola Marzari
Arash A. Mostofi
Jonathan R. Yates
Ivo Souza
David Vanderbilt
4
+ PDF Chat yambo: An ab initio tool for excited state calculations 2009 Andrea Marini
Conor Hogan
Myrta GrĂźning
Daniele Varsano
4
+ PDF Chat Exact Coulomb cutoff technique for supercell calculations 2006 Carlo Andrea Rozzi
Daniele Varsano
Andrea Marini
E. K. U. Gross
Ángel Rubio
4
+ PDF Chat Optimized norm-conserving Vanderbilt pseudopotentials 2013 D. R. Hamann
4
+ Many-body perturbation theory calculations using the yambo code 2019 Davide Sangalli
Andrea Ferretti
Henrique P. C. Miranda
Claudio Attaccalite
Ivan Marri
Elena Cannuccia
Pedro Miguel M. C. de Melo
Margherita Marsili
Fulvio Paleari
Antimo Marrazzo
4
+ PDF Chat Towards fully automated GW band structure calculations: What we can learn from 60.000 self-energy evaluations 2021 Asbjørn Rasmussen
Thorsten Deilmann
Kristian S. Thygesen
3
+ PDF Chat Speeding up GW Calculations to Meet the Challenge of Large Scale Quasiparticle Predictions 2016 Weiwei Gao
Weiyi Xia
Xiang Gao
Peihong Zhang
3
+ PDF Chat Automated high-throughput Wannierisation 2020 Valerio Vitale
Giovanni Pizzi
Antimo Marrazzo
Jonathan R. Yates
Nicola Marzari
Arash A. Mostofi
3
+ AiiDAlab – an ecosystem for developing, executing, and sharing scientific workflows 2020 Aliaksandr V. Yakutovich
Kristjan Eimre
Ole SchĂźtt
Leopold Talirz
Carl S. Adorf
Casper Welzel Andersen
Edward Ditler
Dou Du
Daniele Passerone
Berend Smit
3
+ PDF Chat AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance 2020 Sebastiaan P. Huber
Spyros Zoupanos
Martin Uhrin
Leopold Talirz
Leonid Kahle
Rico Häuselmann
Dominik Gresch
Tiziano MĂźller
Aliaksandr V. Yakutovich
Casper Welzel Andersen
3
+ PDF Chat Materials Cloud, a platform for open computational science 2020 Leopold Talirz
Snehal Kumbhar
Elsa Passaro
Aliaksandr V. Yakutovich
V. Granata
Fernando Gargiulo
Marco Borelli
Martin Uhrin
Sebastiaan P. Huber
Spyros Zoupanos
3
+ Optimization algorithm for the generation of ONCV pseudopotentials 2015 Martin Schlipf
François Gygi
3
+ Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows 2020 Martin Uhrin
Sebastiaan P. Huber
Ju‐Song Yu
Nicola Marzari
Giovanni Pizzi
3
+ PDF Chat Relative Abundance of Z2 Topological Order in Exfoliable Two-Dimensional Insulators 2019 Antimo Marrazzo
Marco Gibertini
Davide Campi
Nicolas Mounet
Nicola Marzari
3
+ PDF Chat AFLOW: An automatic framework for high-throughput materials discovery 2012 Stefano Curtarolo
Wahyu Setyawan
Gus L. W. Hart
Michal JahnĂĄtek
Roman V. Chepulskii
Richard H. Taylor
Shidong Wang
Junkai Xue
Kesong Yang
Ohad Levy
3
+ PDF Chat High-throughput exploration of alloying as design strategy for thermoelectrics 2015 Sandip Bhattacharya
Georg K. H. Madsen
3
+ PDF Chat Quasiparticle GW calculations for solids, molecules, and two-dimensional materials 2013 Falco HĂźser
Thomas Olsen
Kristian S. Thygesen
3
+ PDF Chat The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table 2018 Michiel J. van Setten
Matteo Giantomassi
Éric Bousquet
Matthieu J. Verstraete
D. R. Hamann
Xavier Gonze
Gian‐Marco Rignanese
3
+ PDF Chat Common workflows for computing material properties using different quantum engines 2021 Sebastiaan P. Huber
Emanuele Bosoni
Marnik Bercx
J. D. Broder
Augustin Degomme
Vladimir Dikan
Kristjan Eimre
Espen Flage−Larsen
Alberto GarcĹ́a
Luigi Genovese
3
+ PDF Chat AiiDA: automated interactive infrastructure and database for computational science 2015 Giovanni Pizzi
Andrea Cepellotti
Riccardo Sabatini
Nicola Marzari
Boris Kozinsky
3
+ Wannier90 as a community code: new features and applications 2019 Giovanni Pizzi
Valerio Vitale
Ryotaro Arita
Stefan BlĂźgel
Frank Freimuth
Guillaume GĂŠranton
Marco Gibertini
Dominik Gresch
Charles Johnson
Takashi Koretsune
2
+ PDF Chat Ultrafast graphene photodetector 2009 Fengnian Xia
Thomas Mueller
Yu-Ming Lin
Alberto Valdes‐Garcia
Phaedon Avouris
2
+ PDF Chat QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials 2009 Paolo Giannozzi
Stefano Baroni
Nicola Bonini
Matteo Calandra
Roberto Car
Carlo Cavazzoni
Davide Ceresoli
G. Chiarotti
Matteo Cococcioni
IsmaĂŻla Dabo
2
+ The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals 2018 Sten Haastrup
Mikkel Strange
Mohnish Pandey
Thorsten Deilmann
Per S. Schmidt
N. F. Hinsche
Morten N. Gjerding
Daniele Torelli
Peter Mahler Larsen
Anders C. Riis-Jensen
2
+ PDF Chat Precision and efficiency in solid-state pseudopotential calculations 2018 Gianluca Prandini
Antimo Marrazzo
Ivano E. Castelli
Nicolas Mounet
Nicola Marzari
2
+ PDF Chat Advanced capabilities for materials modelling with Quantum ESPRESSO 2017 Paolo Giannozzi
Oliviero Andreussi
Thomas Brumme
O. Bunău
Marco Buongiorno Nardelli
Matteo Calandra
Roberto Car
Carlo Cavazzoni
Davide Ceresoli
Matteo Cococcioni
2
+ $GW$100: a plane wave perspective for small molecules 2016 Emanuele Maggio
Peitao Liu
Michiel J. van Setten
Georg Kresse
2
+ PDF Chat Topology-Scaling Identification of Layered Solids and Stable Exfoliated 2D Materials 2017 Michael Ashton
Joshua T. Paul
Susan B. Sinnott
Richard G. Hennig
1
+ PDF Chat Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds 2018 Nicolas Mounet
Marco Gibertini
Philippe Schwaller
Davide Campi
Andrius Merkys
Antimo Marrazzo
Thibault Sohier
Ivano E. Castelli
Andrea Cepellotti
Giovanni Pizzi
1
+ PDF Chat Automation methodologies and large-scale validation for <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>G</mml:mi><mml:mi>W</mml:mi></mml:mrow></mml:math> : Towards high-throughput <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>G</mml:mi><mml:mi>W</mml:mi></mml:mrow></mml:math> calculations 2017 Michiel J. van Setten
Matteo Giantomassi
Xavier Gonze
Gian‐Marco Rignanese
Geoffroy Hautier
1
+ PDF Chat Excitons in van der Waals heterostructures: The important role of dielectric screening 2015 Simone Latini
Thomas Olsen
Kristian S. Thygesen
1
+ PDF Chat Layer-controlled band gap and anisotropic excitons in few-layer black phosphorus 2014 Vy Tran
Ryan Soklaski
Yufeng Liang
Li Yang
1
+ High-throughput rapid experimental alloy development (HT-READ) 2021 Kenneth S. Vecchio
Olivia F. Dippo
Kevin Kaufmann
Xiao Liu
1
+ PDF Chat Exciton Band Structure in Two-Dimensional Materials 2016 Pierluigi Cudazzo
Lorenzo Sponza
C. Giorgetti
Lucia Reining
Francesco Sottile
Matteo Gatti
1
+ PDF Chat Excitons in few-layer hexagonal boron nitride: Davydov splitting and surface localization 2018 Fulvio Paleari
Thomas Galvani
Hakim Amara
F. Ducastelle
Alejandro Molina‐Sánchez
Ludger Wirtz
1
+ PDF Chat wannier90: A tool for obtaining maximally-localised Wannier functions 2007 Arash A. Mostofi
Jonathan R. Yates
Young‐Su Lee
Ivo Souza
David Vanderbilt
Nicola Marzari
1
+ PDF Chat Reproducibility in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" id="d1e1825" altimg="si271.svg"><mml:mrow><mml:msub><mml:mrow><mml:mi>G</mml:mi></mml:mrow><mml:mrow><mml:mn>0</mml:mn></mml:mrow></mml:msub><mml:msub><mml:mrow><mml:mi>W</mml:mi></mml:mrow><mml:mrow><mml:mn>0</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math> calculations for solids 2020 Tonatiuh Rangel
Mauro Del Ben
Daniele Varsano
Gabriel Antonius
Fabien Bruneval
Felipe H. da Jornada
Michiel J. van Setten
Okan K. Orhan
David D. O’Regan
Andrew Canning
1
+ PDF Chat Maximally localized Wannier functions for entangled energy bands 2001 Ivo Souza
Nicola Marzari
David Vanderbilt
1
+ PDF Chat Analytic evaluation of the electronic self-energy in the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>G</mml:mi><mml:mi>W</mml:mi></mml:mrow></mml:math>approximation for two electrons on a sphere 2013 Arno Schindlmayr
1
+ PDF Chat Truncation of periodic image interactions for confined systems 2006 Sohrab Ismail‐Beigi
1
+ PDF Chat How dielectric screening in two-dimensional crystals affects the convergence of excited-state calculations: Monolayer MoS<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>2</mml:mn></mml:msub></mml:math> 2013 Falco HĂźser
Thomas Olsen
Kristian S. Thygesen
1
+ PDF Chat Towards high-throughput many-body perturbation theory: efficient algorithms and automated workflows 2022 Miki Bonacci
Junfeng Qiao
Nicola Spallanzani
Antimo Marrazzo
Giovanni Pizzi
Elisa Molinari
Daniele Varsano
Andrea Ferretti
Deborah Prezzi
1
+ PDF Chat Atomically Thin<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>MoS</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>: A New Direct-Gap Semiconductor 2010 Kin Fai Mak
Changgu Lee
James Hone
Jie Shan
Tony F. Heinz
1
+ PDF Chat Dielectric Genome of van der Waals Heterostructures 2015 Kirsten Andersen
Simone Latini
Kristian S. Thygesen
1
+ PDF Chat Exciton Binding Energy and Nonhydrogenic Rydberg Series in Monolayer <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>WS</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math> 2014 Alexey Chernikov
Timothy C. Berkelbach
Heather M. Hill
Albert F. Rigosi
Yi-lei Li
Burak Aslan
David R. Reichman
Mark S. Hybertsen
Tony F. Heinz
1
+ PDF Chat Predictive<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>G</mml:mi><mml:mi>W</mml:mi></mml:mrow></mml:math>calculations using plane waves and pseudopotentials 2014 Jiří Klimeš
Merzuk Kaltak
Georg Kresse
1
+ PDF Chat Excitons in boron nitride single layer 2016 Thomas Galvani
Fulvio Paleari
Henrique P. C. Miranda
Alejandro Molina‐Sánchez
Ludger Wirtz
Sylvain Latil
Hakim Amara
F. Ducastelle
1
+ PDF Chat Efficient many-body calculations for two-dimensional materials using exact limits for the screened potential: Band gaps of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi mathvariant="bold">MoS</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mo>,</mml:mo><mml:mo> </mml:mo><mml:mi>h</mml:mi></mml:math>-BN, and phosphorene 2016 Filip Rasmussen
Per S. Schmidt
Kirsten T. Winther
Kristian S. Thygesen
1
+ PDF Chat Infrared fingerprints of few-layer black phosphorus 2017 Guowei Zhang
Shenyang Huang
Andrey Chaves
Chaoyu Song
V. Ongun Özçelik
Tony Low
Hugen Yan
1
+ PDF Chat <i>GW</i>100: A Plane Wave Perspective for Small Molecules 2017 Emanuele Maggio
Peitao Liu
Michiel J. van Setten
Georg Kresse
1