Alfredo Pasquarello

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 30

Top Topics

Electron Transfer

Electron Microscopy

Top Venues

Nature communications

The journal of physical chemistry letters

Proceedings of the National Academy of Sciences of the United States of America

ACS applied materials & interfaces

This page only lists publications with an associated author ORCID identifier.

Publications

Jinggang Lan, Majed Chergui, Alfredo Pasquarello
Dynamics of the charge transfer to solvent process in aqueous iodide. Nature communications 15 (1) (2024)
Haiyuan Wang, Runhai Ouyang, Wei Chen, Alfredo Pasquarello
High-Quality Data Enabling Universality of Band Gap Descriptor and Discovery of Photovoltaic Perovskites. Journal of the American Chemical Society 146 (26) (2024)
Alexey Tal, Thomas Bischoff, Alfredo Pasquarello
Absolute energy levels of liquid water from many-body perturbation theory with effective vertex corrections. Proceedings of the National Academy of Sciences of the United States of America 121 (10) (2024)
Jinggang Lan, Majed Chergui, Alfredo Pasquarello
Dynamics of the charge transfer to solvent process in aqueous iodide. Nature communications 15 (1) (2024)
Alexey Tal, Thomas Bischoff, Alfredo Pasquarello
Absolute energy levels of liquid water from many-body perturbation theory with effective vertex corrections. Proceedings of the National Academy of Sciences of the United States of America 121 (10) (2024)
Alexey Tal, Thomas Bischoff, Alfredo Pasquarello
Absolute energy levels of liquid water from many-body perturbation theory with effective vertex corrections. Proceedings of the National Academy of Sciences of the United States of America 121 (10) (2024)
Alexey Tal, Thomas Bischoff, Alfredo Pasquarello
Absolute energy levels of liquid water from many-body perturbation theory with effective vertex corrections. Proceedings of the National Academy of Sciences of the United States of America 121 (10) (2024)
Jinggang Lan, Majed Chergui, Alfredo Pasquarello
Dynamics of the charge transfer to solvent process in aqueous iodide. Nature communications 15 (1) (2024)
Haiyuan Wang, Runhai Ouyang, Wei Chen, Alfredo Pasquarello
High-Quality Data Enabling Universality of Band Gap Descriptor and Discovery of Photovoltaic Perovskites. Journal of the American Chemical Society (2024)
Jinggang Lan, Majed Chergui, Alfredo Pasquarello
Dynamics of the charge transfer to solvent process in aqueous iodide. Nature communications 15 (1) (2024)
Igor Reshetnyak, Arnaud Lorin, Alfredo Pasquarello
Many-body screening effects in liquid water. Nature communications 14 (1) (2023)
Igor Reshetnyak, Arnaud Lorin, Alfredo Pasquarello
Many-body screening effects in liquid water. Nature communications 14 (1) (2023)
Igor Reshetnyak, Arnaud Lorin, Alfredo Pasquarello
Many-body screening effects in liquid water. Nature communications 14 (1) (2023)
Igor Reshetnyak, Arnaud Lorin, Alfredo Pasquarello
Many-body screening effects in liquid water. Nature communications 14 (1) (2023)
Jing Yang, Stefano Falletta, Alfredo Pasquarello
One-Shot Approach for Enforcing Piecewise Linearity on Hybrid Functionals: Application to Band Gap Predictions. The journal of physical chemistry letters 13 (13) (2022)
Oliviero Cannelli, Julia Wiktor, Nicola Colonna, Ludmila M D Leroy, Michele Puppin, Camila Bacellar, Ilia I Sadykov, Franziska Krieg, Grigory Smolentsev, Maksym V Kovalenko, Alfredo Pasquarello, Majed Chergui, Giulia Fulvia Mancini
Atomic-Level Description of Thermal Fluctuations in Inorganic Lead Halide Perovskites. The journal of physical chemistry letters 13 (15) (2022)
Jinggang Lan, Vladimir V Rybkin, Alfredo Pasquarello
Temperature Dependent Properties of the Aqueous Electron. Angewandte Chemie (International ed. in English) 61 (38) (2022)
James Moraes de Almeida, Ngoc Linh Nguyen, Nicola Colonna, Wei Chen, Caetano R Miranda, Alfredo Pasquarello, Nicola Marzari
Electronic Structure of Water from Koopmans-Compliant Functionals. Journal of chemical theory and computation 17 (7) (2021)
Ethan Berger, Julia Wiktor, Alfredo Pasquarello
Low-Frequency Dielectric Response of Tetragonal Perovskite CH3NH3PbI3. The journal of physical chemistry letters 11 (15) (2020)
Lucía Pérez Ramírez, Jean-Jacques Gallet, Fabrice Bournel, Florence Lim, Stéphane Carniato, François Rochet, Oleg V Yazyev, Alfredo Pasquarello, Elena Magnano, Federica Bondino
Hydrogen Bonding of Ammonia with (H,OH)-Si(001) Revealed by Experimental and Ab Initio Photoelectron Spectroscopy. The journal of physical chemistry. A 124 (26) (2020)
Julia Wiktor, Alfredo Pasquarello
Electron and Hole Polarons at the BiVO4-Water Interface. ACS applied materials & interfaces 11 (20) (2019)
Michele Pizzochero, Francesco Ambrosio, Alfredo Pasquarello
Picture of the wet electron: a localized transient state in liquid water. Chemical science 10 (31) (2019)
Francesco Ambrosio, Zhendong Guo, Alfredo Pasquarello
Absolute Energy Levels of Liquid Water. The journal of physical chemistry letters 9 (12) (2018)
Julia Wiktor, Igor Reshetnyak, Michal Strach, Mariateresa Scarongella, Raffaella Buonsanti, Alfredo Pasquarello
Sizable Excitonic Effects Undermining the Photocatalytic Efficiency of β-Cu2V2O7. The journal of physical chemistry letters 9 (19) (2018)
Assil Bouzid, Alfredo Pasquarello
Atomic-Scale Simulation of Electrochemical Processes at Electrode/Water Interfaces under Referenced Bias Potential. The journal of physical chemistry letters 9 (8) (2018)
Julia Wiktor, Francesco Ambrosio, Alfredo Pasquarello
Note: Assessment of the SCAN+rVV10 functional for the structure of liquid water. The Journal of chemical physics 147 (21) (2018)
Pascal Oberholzer, Elena Tervoort, Assil Bouzid, Alfredo Pasquarello, Dipan Kundu
Oxide versus Nonoxide Cathode Materials for Aqueous Zn Batteries: An Insight into the Charge Storage Mechanism and Consequences Thereof. ACS applied materials & interfaces 11 (1) (2018)
Francesco Ambrosio, Julia Wiktor, Alfredo Pasquarello
pH-Dependent Surface Chemistry from First Principles: Application to the BiVO4(010)-Water Interface. ACS applied materials & interfaces 10 (12) (2018)
Julia Wiktor, Fabien Bruneval, Alfredo Pasquarello
Partial Molar Volumes of Aqua Ions from First Principles. Journal of chemical theory and computation 13 (8) (2017)
Julia Wiktor, Ursula Rothlisberger, Alfredo Pasquarello
Predictive Determination of Band Gaps of Inorganic Halide Perovskites. The journal of physical chemistry letters 8 (22) (2017)