Alfredo Pasquarello

ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE

H指数:80

被引数:5.0万

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Dielectric-dependent hybrid functional based on meta-GGA

基于meta-GGA的介电依赖杂化泛函

Nature Communications

IF15.7

2026-07-040

OAAI

Triple-junction solar cells with improved carrier and photon management

具有改进的载流子和光子管理的三结太阳能电池

Nature

IF48.5

2026-03-170

PRE

Kerem 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

Electronic Energy Levels of Aqueous Hydroxyl Species

水相羟基物种的电子能级

Phys. Chem. Chem. Phys.

IF2.9

2025-10-020

PRE

Mechanism of First Proton-Coupled Electron Transfer of Water Oxidation at the –Water Interface

水界面处水氧化过程中首个质子偶联电子转移的机制

Angewandte Chemie International Edition

IF0

2025-05-240

PREAI

Electronic structure of α-MnO2 and β-MnO2 through GW with vertex corrections

PHYSICAL REVIEW MATERIALS

IF3.4

2025-01-210

PRE

Migration of hole polarons in anatase and rutile TiO2 through piecewise-linear functionals

PHYSICAL REVIEW B

IF3.7

2024-12-192

PRE

Quasiparticle self-consistent GW with effective vertex corrections in the polarizability and the self-energy applied to MnO, FeO, CoO, and NiO

PHYSICAL REVIEW B

IF3.7

2024-10-036

PRE

High-Quality Data Enabling Universality of Band Gap Descriptor and Discovery of Photovoltaic Perovskites

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2024-05-034

PRE

Dynamics of the charge transfer to solvent process in aqueous iodide

NATURE COMMUNICATIONS

IF15.7

2024-03-213

OAAI

Absolute energy levels of liquid water from many-body perturbation theory with effective vertex corrections

具有有效顶点校正的多体摄动理论的液态水的绝对能级

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

IF9.1

2024-03-014

OAAI

Band alignments through quasiparticle self-consistent GW with efficient vertex corrections

PHYSICAL REVIEW B

IF3.7

2023-12-059

2023 Roadmap on molecular modelling of electrochemical energy materials

电化学能源材料的分子建模2023路线图

JOURNAL OF PHYSICS-ENERGY

IF6.3

2023-10-3011

Zhang, 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

Range-separated hybrid functionals for accurate prediction of band gaps of extended systems

NPJ COMPUTATIONAL MATERIALS

IF11.9

2023-06-2130

OAAI

Many-body screening effects in liquid water

NATURE COMMUNICATIONS

IF15.7

2023-05-112

OAAI

Polaron hopping through piecewise-linear functionals

PHYSICAL REVIEW B