Luigi Genovese

Université Grenoble Alpes

France

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Articles (10)

Year:

2022

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2022

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2022

Year:

2021

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2020

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2020

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2020

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2020

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2020

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2020

Collaborators (11)

Victor Manuel Garcia Suarez

Associate Professor

University of Oviedo

SPAIN

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Thomas Ruh

TU Wien

AUSTRIA

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Pablo López-Tarifa

Netherlands eScience Center

NETHERLANDS

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Luca Frediani

Førsteamanuensis (ass. prof.)

UiT Norges arktiske universitet

NORWAY

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Peter Wind

Norwegian Meteorological Institute

NORWAY

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Laura E. Ratcliff

Imperial College London

UNITED KINGDOM

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Babak Momeni

Associate Professor

Boston College

UNITED STATES

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Stefano de Gironcoli

Prof. Ordinario

Scuola Internazionale Superiore di Studi Avanzati

ITALY

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Austin Zadoks

EPFL (École Polytechnique Fédérale de Lausanne)

SWITZERLAND

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Viviana Cristiglio

Institut Laue-Langevin

FRANCE

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Marc Torrent

Université Paris-Saclay

FRANCE

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Luigi Genovese

Research Interests

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Articles (10)

Probing the mutational landscape of the SARS-CoV-2 spike protein via quantum mechanical modeling of crystallographic structures

Exploring metastable states in UO2 using hybrid functionals and dynamical mean field theory

Density functional theory calculations of large systems: Interplay between fragments, observables, and computational complexity

Common workflows for computing material properties using different quantum engines

Static Polarizabilities at the Basis Set Limit: A Benchmark of 124 Species

The CECAM electronic structure library and the modular software development paradigm

Complexity Reduction in Density Functional Theory Calculations of Large Systems: System Partitioning and Fragment Embedding

Designing a bioremediator: mechanistic models guide cellular and molecular specialization

Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations

Wet Environment Effects for Ethanol and Water Adsorption on Anatase TiO<inf>2</inf> (101) Surfaces

Collaborators (11)

Victor Manuel Garcia Suarez

Thomas Ruh

Pablo López-Tarifa

Luca Frediani

Peter Wind

Laura E. Ratcliff

Babak Momeni

Stefano de Gironcoli

Austin Zadoks

Viviana Cristiglio

Marc Torrent

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