2026 Nicola Marzari: Materials Science Researcher – H-Index, Publications & Awards

Discipline name	D-Index	World Ranking	Current World Ranking	National Ranking	Current National Ranking	Publications	Citations
Materials Science	91	1561	1500	23	23	482	97186

Research.com Recognitions

2014 - Fellow of American Physical Society (APS) Citation For the development of creative and original methods for ab initio calculations of materials properties, in particular Wannierbased electronic structure methods and first principles simulations of transport properties of solids and nanostructures

Overview

Nicola Marzari is affiliated with the École Polytechnique Fédérale de Lausanne in Switzerland. Their research primarily spans the fields of Materials Science and Physics and Astronomy, with extensive work in subfields such as Materials Chemistry, Atomic and Molecular Physics and Optics, Electrical and Electronic Engineering, Condensed Matter Physics, and Electronic, Optical and Magnetic Materials.

Their work focuses on key topics including Machine Learning in Materials Science, Graphene Research and Applications, Advanced Chemical Physics Studies, 2D Materials and Applications, Electronic and Structural Properties of Oxides, Advanced Condensed Matter Physics, and Topological Materials and Phenomena.

Nicola Marzari has contributed to numerous publications, with frequent appearances in venues such as arXiv (Cornell University), npj Computational Materials, Physical Review B, Physical Review Research, and Physical Review Letters.

Production and processing of graphene and related materials, 2020, 2D Materials
Materials Cloud, a platform for open computational science, 2020, Repository for Publications and Research Data (ETH Zurich)
Electronic-structure methods for materials design, 2021, Nature Materials
Self-consistent Hubbard parameters from density-functional perturbation theory in the ultrasoft and projector-augmented wave formulations, 2021, Physical Review B
Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows, 2020, Computational Materials Science

The scientist frequently collaborates with colleagues such as Giovanni Pizzi, Iurii Timrov, Samuel Poncé, Marco Gibertini, and Lorenzo Bastonero.

Nicola Marzari was recognized as a Fellow of the American Physical Society in 2014 for the development of creative and original methods for ab initio calculations of materials properties, specifically related to Wannier-based electronic structure methods and first principles simulations of transport properties in solids and nanostructures.

Best Publications

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi;Stefano Baroni;Stefano Baroni;Nicola Bonini;Matteo Calandra

31067
Citations
Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

P. Giannozzi;S. Baroni;N. Bonini;M. Calandra

17591
Citations
Advanced capabilities for materials modelling with Quantum ESPRESSO.

P. Giannozzi;O. Andreussi;O. Andreussi;T. Brumme;O. Bunau

5193
Citations
wannier90: A tool for obtaining maximally-localised Wannier functions ✩

Arash A. Mostofi;Jonathan R. Yates;Jonathan R. Yates;Young-Su Lee;Ivo Souza;Ivo Souza

4352
Citations
Maximally localized Wannier functions for entangled energy bands

Ivo Souza;Nicola Marzari;David Vanderbilt

2435
Citations
Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds

Nicolas Mounet;Marco Gibertini;Philippe Schwaller;Davide Campi

1864
Citations
Uniaxial strain in graphene by Raman spectroscopy: G peak splitting, Grüneisen parameters, and sample orientation

T. M. G. Mohiuddin;A. Lombardo;R. R. Nair;A. Bonetti

1861
Citations
Reproducibility in density functional theory calculations of solids

Kurt Lejaeghere;Gustav Bihlmayer;Torbjörn Björkman;Torbjörn Björkman;Peter Blaha

1523
Citations
First-principles determination of the structural, vibrational and thermodynamic properties of diamond, graphite, and derivatives

Nicolas Mounet;Nicola Marzari

1394
Citations
THERMAL CONTRACTION AND DISORDERING OF THE AL(110) SURFACE

Nicola Marzari;David Vanderbilt;Alessandro De Vita;M. C. Payne

1372
Citations
Quantum ESPRESSO toward the exascale.

Paolo Giannozzi;Oscar Baseggio;Pietro Bonfà;Davide Brunato

1056
Citations
Large-Area Epitaxial Monolayer MoS2

Dumitru Dumcenco;Dmitry Ovchinnikov;Kolyo Marinov;Predrag Lazić

962
Citations
The shear mode of multilayer graphene

P.H. Tan;W.P. Han;W.J. Zhao;Z.H. Wu

797
Citations
Precision and efficiency in solid-state pseudopotential calculations

Gianluca Prandini;Antimo Marrazzo;Ivano E. Castelli;Ivano E. Castelli;Nicolas Mounet

784
Citations
The Shear Mode of Multi-Layer Graphene

P. H. Tan;W. P. Han;W. J. Zhao;Z. H. Wu

646
Citations
AiiDA: automated interactive infrastructure and database for computational science

Giovanni Pizzi;Andrea Cepellotti;Riccardo Sabatini;Nicola Marzari

637
Citations
Thermal Conductivity of Graphene and Graphite: Collective Excitations and Mean Free Paths

Giorgia Fugallo;Andrea Cepellotti;Lorenzo Paulatto;Michele Lazzeri

625
Citations
Density functional theory in transition-metal chemistry: A self-consistent Hubbard U approach

Heather J. Kulik;Matteo Cococcioni;Damian A. Scherlis;Nicola N. Marzari

608
Citations
Role of Disorder and Anharmonicity in the Thermal Conductivity of Silicon-Germanium Alloys: A First-Principles Study

Jivtesh Garg;Nicola Bonini;Nicola Bonini;Boris Kozinsky;Nicola Marzari;Nicola Marzari

580
Citations
Phonon anharmonicities in graphite and graphene.

Nicola Bonini;Michele Lazzeri;Nicola N. Marzari;Francesco Mauri

564
Citations
Surface energies, work functions, and surface relaxations of low index metallic surfaces from first principles

Nicholas E. Singh-Miller;Nicola N. Marzari

560
Citations
Phonon hydrodynamics in two-dimensional materials

Andrea Cepellotti;Giorgia Fugallo;Lorenzo Paulatto;Michele Lazzeri

555
Citations
Revised self-consistent continuum solvation in electronic-structure calculations.

Oliviero Andreussi;Ismaila Dabo;Nicola Marzari

506
Citations