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Alfredo Pasquarello

ecole polytechnique federale de lausanne

80H-index
466Paper Count
5.1WCitation Count
Published Papers 181
Publication Date
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Dielectric-dependent hybrid functional based on meta-GGA
errNature Communications
IF15.7
err2026-07-04
err0
errOAAI
errStefan Riemelmoser; Xun Xu; Alfredo Pasquarello
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Triple-junction solar cells with improved carrier and photon management
errNature
IF48.5
err2026-03-17
err0
PREAI
errKerem Artuk; Deniz Turkay; Austin Kuba; Stefan Riemelmoser; Julian A. Steele; Julien Hurni; Joël Spitznagel; Hugo Quest; Michele De Bastiani; Jun Zhao; Jonas Diekmann; Chiara Ongaro; Mostafa Othman; Maryamsadat Heydarian; Oliver Fischer; Huagui Lai; Jonathan S. Austin; Stefan Zeiske; Rafael López-Arteaga; Cheng Liu; Mounir D. Mensi; Andrés-Felipe Castro-Méndez; Muzhi Li; Thomas W. Gries; Siddha Hill; Felipe Saenz; Lisa Champault; Hilal Aybike Can; Mohammad Reza Golobostanfard; Umang Desai; Paul Remondeau; Eduardo Solano; Giuseppe Portale; Antonin Faes; Felix Lang; Artem Musiienko; Nicholas Rolston; Fan Fu; Martin C. Schubert; Florian Schindler; Bin Chen; Alfredo Pasquarello; Edward H. Sargent; Aïcha Hessler-Wyser; Quentin Jeangros; Christophe Ballif; Christian M. Wolff
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Electronic Energy Levels of Aqueous Hydroxyl Species
errPhys. Chem. Chem. Phys.
IF2.9
err2025-10-02
err0
PREAI
errFrancesco Ambrosio; Wei Chen; Alfredo Pasquarello
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Mechanism of First Proton-Coupled Electron Transfer of Water Oxidation at the –Water Interface
errAngewandte Chemie International Edition
IF0
err2025-05-24
err0
PREAI
errDr. Yong-Bin Zhuang; Prof. Alfredo Pasquarello
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Electronic structure of α-MnO2 and β-MnO2 through GW with vertex corrections
errPHYSICAL REVIEW MATERIALS
IF3.4
err2025-01-21
err0
PREAI
errAbdallah, Mohamed S.; Pasquarello, Alfredo
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Migration of hole polarons in anatase and rutile TiO2 through piecewise-linear functionals
errPHYSICAL REVIEW B
IF3.7
err2024-12-19
err2
PREAI
errPalermo, Giorgio; Falletta, Stefano; Pasquarello, Alfredo
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Quasiparticle self-consistent GW with effective vertex corrections in the polarizability and the self-energy applied to MnO, FeO, CoO, and NiO
errPHYSICAL REVIEW B
IF3.7
err2024-10-03
err6
PREAI
errAbdallah, Mohamed S.; Pasquarello, Alfredo
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High-Quality Data Enabling Universality of Band Gap Descriptor and Discovery of Photovoltaic Perovskites
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-05-03
err4
PREAI
errWang, Haiyuan; Ouyang, Runhai; Chen, Wei; Pasquarello, Alfredo
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Dynamics of the charge transfer to solvent process in aqueous iodide
errNATURE COMMUNICATIONS
IF15.7
err2024-03-21
err3
errOAAI
errLan, Jinggang; Chergui, Majed; Pasquarello, Alfredo
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Absolute energy levels of liquid water from many-body perturbation theory with effective vertex corrections
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2024-03-01
err4
errOAAI
errTal, Alexey; Bischoff, Thomas; Pasquarello, Alfredo
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Band alignments through quasiparticle self-consistent GW with efficient vertex corrections
errPHYSICAL REVIEW B
IF3.7
err2023-12-05
err9
errOAAI
errLorin, Arnaud; Bischoff, Thomas; Tal, Alexey; Pasquarello, Alfredo
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2023 Roadmap on molecular modelling of electrochemical energy materials
errJOURNAL OF PHYSICS-ENERGY
IF6.3
err2023-10-30
err11
errOAAI
errZhang, Chao; Cheng, Jun; Chen, Yiming; Chan, Maria K. Y.; Cai, Qiong; Carvalho, Rodrigo P.; Marchiori, Cleber F. N.; Brandell, Daniel; Araujo, C. Moyses; Chen, Ming; Ji, Xiangyu; Feng, Guang; Goloviznina, Kateryna; Serva, Alessandra; Salanne, Mathieu; Mandai, Toshihiko; Hosaka, Tomooki; Alhanash, Mirna; Johansson, Patrik; Qiu, Yun-Ze; Xiao, Hai; Eikerling, Michael; Jinnouchi, Ryosuke; Melander, Marko M.; Kastlunger, Georg; Bouzid, Assil; Pasquarello, Alfredo; Shin, Seung-Jae; Kim, Minho M.; Kim, Hyungjun; Schwarz, Kathleen; Sundararaman, Ravishankar
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Range-separated hybrid functionals for accurate prediction of band gaps of extended systems
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2023-06-21
err30
errOAAI
errYang, Jing; Falletta, Stefano; Pasquarello, Alfredo
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Many-body screening effects in liquid water
errNATURE COMMUNICATIONS
IF15.7
err2023-05-11
err2
errOAAI
errReshetnyak, Igor; Lorin, Arnaud; Pasquarello, Alfredo
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Polaron hopping through piecewise-linear functionals
errPHYSICAL REVIEW B
IF3.7
err2023-05-11
err7
PREAI
errFalletta, Stefano; Pasquarello, Alfredo
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Infrared spectra in amorphous alumina: A combined ab initio and experimental study
errPHYSICAL REVIEW MATERIALS
IF3.4
err2023-04-24
err5
errOAAI
errGiacomazzi, Luigi; Shcheblanov, Nikita S.; Povarnitsyn, Mikhail E.; Li, Yanbo; Mavric, Andraz; Zupancic, Barbara; Grdadolnik, Joze; Pasquarello, Alfredo
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Hubbard U through polaronic defect states
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2022-12-31
err8
errOAAI
errFalletta, Stefano; Pasquarello, Alfredo
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Accurate and efficient band-gap predictions for metal halide perovskites at finite temperature
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2022-11-15
err26
errOAAI
errWang, Haiyuan; Tal, Alexey; Bischoff, Thomas; Gono, Patrick; Pasquarello, Alfredo
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Polarons free from many-body self-interaction in density functional theory
errPHYSICAL REVIEW B
IF3.7
err2022-09-14
err18
errOAAI
errFalletta, Stefano; Pasquarello, Alfredo
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Oxygen Evolution at the BiVO4-Water Interface: Mechanism of the Water Dehydrogenation Reaction
errACS CATALYSIS
IF13.1
err2022-09-13
err7
PREAI
errLyu, Sai; Wiktor, Julia; Pasquarello, Alfredo
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Research Directions

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Co-authors
Cooperation Journals
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Steven G. Louie
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Georg Kresse
H-index: 128 · Papers: 503
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Berend Smit
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F
Filippo De Angelis
H-index: 111 · Papers: 608
R
Roberto Car
H-index: 108 · Papers: 589
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