Alfredo Pasquarello
École Polytechnique Fédérale de Lausanne
H-index: 83
Europe-Switzerland
Top articles of Alfredo Pasquarello
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Dynamics of the charge transfer to solvent process in aqueous iodide | Nature Communications | Jinggang Lan Majed Chergui Alfredo Pasquarello | 2024/3/21 |
Absolute energy levels of liquid water from many-body perturbation theory with effective vertex corrections | Proceedings of the National Academy of Sciences | Alexey Tal Thomas Bischoff Alfredo Pasquarello | 2024/3/5 |
First-principles calculations of defects and electron–phonon interactions: Seminal contributions of Audrius Alkauskas to the understanding of recombination processes | Journal of Applied Physics | Xie Zhang Mark E Turiansky Lukas Razinkovas Marek Maciaszek Peter Broqvist | 2024/4/21 |
Nonempirical semilocal density functionals for correcting the self-interaction of polaronic states | Journal of Applied Physics | Stefano Falletta Alfredo Pasquarello | 2024/4/7 |
Polaron hopping through piecewise-linear functionals | Physical Review B | Stefano Falletta Alfredo Pasquarello | 2023/5/11 |
Infrared spectra in amorphous alumina: A combined ab initio and experimental study | Physical Review Materials | Luigi Giacomazzi Nikita S Shcheblanov Mikhail E Povarnitsyn Yanbo Li Andraž Mavrič | 2023/4/24 |
Band alignments through quasiparticle self-consistent with efficient vertex corrections | Physical Review B | Arnaud Lorin Thomas Bischoff Alexey Tal Alfredo Pasquarello | 2023/12/5 |
2023 Roadmap on molecular modelling of electrochemical energy materials | Journal of Physics: Energy | Chao Zhang Jun Cheng Yiming Chen Maria KY Chan Qiong Cai | 2023/10/30 |
Range-separated hybrid functionals for accurate prediction of band gaps of extended systems | npj Computational Materials | Jing Yang Stefano Falletta Alfredo Pasquarello | 2023/6/21 |
Many-body screening effects in liquid water | Nature Communications | Igor Reshetnyak Arnaud Lorin Alfredo Pasquarello | 2023/5/11 |
Atomic-level description of thermal fluctuations in inorganic lead halide perovskites | The Journal of Physical Chemistry Letters | Oliviero Cannelli Julia Wiktor Nicola Colonna Ludmila Leroy Michele Puppin | 2022/4/11 |
Many-body self-interaction and polarons | Physical Review Letters | Stefano Falletta Alfredo Pasquarello | 2022/9/14 |
One-shot approach for enforcing piecewise linearity on hybrid functionals: application to band gap predictions | The Journal of Physical Chemistry Letters | Jing Yang Stefano Falletta Alfredo Pasquarello | 2022/3/30 |
Polarons free from many-body self-interaction in density functional theory | Physical Review B | Stefano Falletta Alfredo Pasquarello | 2022/9/14 |
Polarons in semilocal density functional theory: localization, many-body self-interaction, and formation energy | APS March Meeting Abstracts | Stefano Falletta Alfredo Pasquarello | 2022 |
Oxygen Evolution at the BiVO4–Water Interface: Mechanism of the Water Dehydrogenation Reaction | Acs Catalysis | Sai Lyu Julia Wiktor Alfredo Pasquarello | 2022/9/13 |
Hubbard U through polaronic defect states | npj Computational Materials | Stefano Falletta Alfredo Pasquarello | 2022/12/31 |
Decoupled Structural Responses upon Light and Thermal Functional Activation in CsPbBr3 Perovskites | Oliviero Cannelli Julia Wiktor Nicola Colonna Ludmila Leroy Michele Puppin | 2022/7/18 | |
Accurate and efficient band-gap predictions for metal halide perovskites at finite temperature | npj Computational Materials | Haiyuan Wang Alexey Tal Thomas Bischoff Patrick Gono Alfredo Pasquarello | 2022/11/15 |
Evolution of Aqueous Electron with Varying Temperature | Jinggang Lan Vladimir V Rybkin Alfredo Pasquarello | 2022/6/21 |
Co-Authors
