David Waroquiers - Publications, H-index & Citations

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David Waroquiers

uclouvain, institut de la matière condensée et des nanosciences, université catholique de louvain, chemin des étoiles 8, louvain-la-neuve 1348, belgium

17H-index

44Paper Count

2.3KCitation Count

Published Papers 13

Publication Date

Correction: Atomate2: modular workflows for materials science

Digital Discovery

IF5.6

2025-08-19

OAAI

Alex M. Ganose; Hrushikesh Sahasrabuddhe; Mark Asta; Kevin Beck; Tathagata Biswas; Alexander Bonkowski; Joana Bustamante; Xin Chen; Yuan Chiang; Daryl C. Chrzan; Jacob Clary; Orion A. Cohen; Christina Ertural; Max C. Gallant; Janine George; Sophie Gerits; Rhys E. A. Goodall; Rishabh D. Guha; Geoffroy Hautier; Matthew Horton; T. J. Inizan; Aaron D. Kaplan; Ryan S. Kingsbury; Matthew C. Kuner; Bryant Li; Xavier Linn; Matthew J. McDermott; Rohith Srinivaas Mohanakrishnan; Aakash A. Naik; Jeffrey B. Neaton; Shehan M. Parmar; Kristin A. Persson; Guido Petretto; Thomas A. R. Purcell; Francesco Ricci; Benjamin Rich; Janosh Riebesell; Gian-Marco Rignanese; Andrew S. Rosen; Matthias Scheffler; Jonathan Schmidt; Jimmy-Xuan Shen; Andrei Sobolev; Ravishankar Sundararaman; Cooper Tezak; Victor Trinquet; Joel B. Varley; Derek Vigil-Fowler; Duo Wang; David Waroquiers; Mingjian Wen; Han Yang; Hui Zheng; Jiongzhi Zheng; Zhuoying Zhu; Anubhav Jain

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Atomate2: modular workflows for materials science

Digital Discovery

IF5.6

2025-07-26

OAAI

Alex M. Ganose; Hrushikesh Sahasrabuddhe; Mark Asta; Kevin Beck; Tathagata Biswas; Alexander Bonkowski; Joana Bustamante; Xin Chen; Yuan Chiang; Daryl C. Chrzan; Jacob Clary; Orion A. Cohen; Christina Ertural; Max C. Gallant; Janine George; Sophie Gerits; Rhys E. A. Goodall; Rishabh D. Guha; Geoffroy Hautier; Matthew Horton; T. J. Inizan; Aaron D. Kaplan; Ryan S. Kingsbury; Matthew C. Kuner; Bryant Li; Xavier Linn; Matthew J. McDermott; Rohith Srinivaas Mohanakrishnan; Aakash N. Naik; Jeffrey B. Neaton; Shehan M. Parmar; Kristin A. Persson; Guido Petretto; Thomas A. R. Purcell; Francesco Ricci; Benjamin Rich; Janosh Riebesell; Gian-Marco Rignanese; Andrew S. Rosen; Matthias Scheffler; Jonathan Schmidt; Jimmy-Xuan Shen; Andrei Sobolev; Ravishankar Sundararaman; Cooper Tezak; Victor Trinquet; Joel B. Varley; Derek Vigil-Fowler; Duo Wang; David Waroquiers; Mingjian Wen; Han Yang; Hui Zheng; Jiongzhi Zheng; Zhuoying Zhu; Anubhav Jain

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Accelerated data-driven materials science with the Materials Project

Nature Materials

IF38.5

2025-07-03

PREAI

Matthew K. Horton; Patrick Huck; Ruo Xi Yang; Jason M. Munro; Shyam Dwaraknath; Alex M. Ganose; Ryan S. Kingsbury; Mingjian Wen; Jimmy X. Shen; Tyler S. Mathis; Aaron D. Kaplan; Karlo Berket; Janosh Riebesell; Janine George; Andrew S. Rosen; Evan W. C. Spotte-Smith; Matthew J. McDermott; Orion A. Cohen; Alex Dunn; Matthew C. Kuner; Gian-Marco Rignanese; Guido Petretto; David Waroquiers; Sinead M. Griffin; Jeffrey B. Neaton; Daryl C. Chrzan; Mark Asta; Geoffroy Hautier; Shreyas Cholia; Gerbrand Ceder; Shyue Ping Ong; Anubhav Jain; Kristin A. Persson

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Composition-Dependent Voltage-Driven OFF-ON Switching of Ferromagnetism in Co-Ni Oxide Microdisks

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2025-01-30

PREAI

Arredondo-López, A; Eiler, K; Quintana, A; Rius, G; Spasojevic, I; Salicio, A; Nicolenco, A; Lekka, M; García-Lecina, E; Brunin, G; Waroquiers, D; Rignanese, GM; Pellicer, E; Menéndez, E; Sort, J

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Insights into cation disorder and phase transitions in CZTS from a first-principles approach

PHYSICAL REVIEW MATERIALS

IF3.4

2018-08-09

PREAI

Ramkumar, S. P.; Miglio, A.; van Setten, M. J.; Waroquiers, D.; Hautier, G.; Rignanese, G-M

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Statistical Analysis of Coordination Environments in Oxides

CHEMISTRY OF MATERIALS

IF7

2017-09-27

150

PREAI

Waroquiers, David; Gonze, Xavier; Rignanese, Gian-Marco; Welker-Nieuwoudt, Cathrin; Rosowski, Frank; Goebel, Michael; Schenk, Stephan; Degelmann, Peter; Andre, Rute; Glaum, Robert; Hautier, Geoffroy

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Recent developments in the ABINIT software package

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

2016-08-01

702

PREAI

Gonze, X.; Jollet, F.; Araujo, F. Abreu; Adams, D.; Amadon, B.; Applencourt, T.; Audouze, C.; Beuken, J. -M.; Bieder, J.; Bokhanchuk, A.; Bousquet, E.; Bruneval, F.; Caliste, D.; Cote, M.; Dahm, F.; Da Pieve, F.; Delaveau, M.; Di Gennaro, M.; Dorado, B.; Espejo, C.; Geneste, G.; Genovese, L.; Gerossier, A.; Giantomassi, M.; Gillet, Y.; Hamann, D. R.; He, L.; Jomard, G.; Janssen, J. Laflamme; Le Roux, S.; Levitt, A.; Lherbier, A.; Liu, F.; Lukacevic, I.; Martin, A.; Martins, C.; Oliveira, M. J. T.; Ponce, S.; Pouillon, Y.; Rangel, T.; Rignanese, G. -M.; Romero, A. H.; Rousseau, B.; Rubel, O.; Shukri, A. A.; Stankovski, M.; Torrent, M.; Van Setten, M. J.; Van Troeye, B.; Verstraete, M. J.; Waroquiers, D.; Wiktor, J.; Xu, B.; Zhou, A.; Zwanziger, J. W.

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Influence of the second gap on the transparency of transparent conducting oxides: An ab initio study

APPLIED PHYSICS LETTERS

IF3.6

2016-05-16

OAAI

Ha, Viet-Anh; Waroquiers, David; Rignanese, Gian-Marco; Hautier, Geoffroy

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Computed electronic and optical properties of SnO2 under compressive stress

OPTICAL MATERIALS

IF4.2

2014-12-01

PREAI

Miglio, A.; Saniz, R.; Waroquiers, D.; Stankovski, M.; Giantomassi, M.; Hautier, G.; Rignanese, G. -M.; Gonze, X.

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How Does Chemistry Influence Electron Effective Mass in Oxides? A High-Throughput Computational Analysis

CHEMISTRY OF MATERIALS

IF7

2014-10-01

150

PREAI

Hautier, Geoffroy; Miglio, Anna; Waroquiers, David; Rignanese, Gian-Marco; Gonze, Xavier

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Quasiparticle electronic structure of barium-silicon oxynitrides for white-LED application

PHYSICAL REVIEW B

IF3.7

2013-08-22

PREAI

Bertrand, B.; Ponce, S.; Waroquiers, D.; Stankovski, M.; Giantomassi, M.; Mikami, M.; Gonze, X.

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Band widths and gaps from the Tran-Blaha functional: Comparison with many-body perturbation theory

PHYSICAL REVIEW B

IF3.7

2013-02-15

OAAI

Waroquiers, David; Lherbier, Aurelien; Miglio, Anna; Stankovski, Martin; Ponce, Samuel; Oliveira, Micael J. T.; Giantomassi, Matteo; Rignanese, Gian-Marco; Gonze, Xavier

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G0W0 band gap of ZnO: Effects of plasmon-pole models

PHYSICAL REVIEW B

IF3.7

2011-12-05

111

OAAI

Stankovski, M.; Antonius, G.; Waroquiers, D.; Miglio, A.; Dixit, H.; Sankaran, K.; Giantomassi, M.; Gonze, X.; Cote, M.; Rignanese, G. -M.

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Research Directions