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Nicola Marzari

École Polytechnique Fédérale de LausanneORCID https://orcid.org/0000-0002-9764-0199

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Impact (2-yr)

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Top Publications

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

Journal of Physics Condensed Matter200928,256 citations

Maximally localized generalized Wannier functions for composite energy bands

Physical review. B, Condensed matter19974,676 citationsFirst authorCorresponding

wannier90: A tool for obtaining maximally-localised Wannier functions

Computer Physics Communications20074,034 citations

Maximally localized Wannier functions: Theory and applications

Reviews of Modern Physics20123,178 citationsFirst authorCorresponding

An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions

Computer Physics Communications20142,357 citations

Maximally localized Wannier functions for entangled energy bands

Physical review. B, Condensed matter20012,185 citations

Uniaxial strain in graphene by Raman spectroscopy:<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>G</mml:mi></mml:math>peak splitting, Grüneisen parameters, and sample orientation

Physical Review B20091,931 citations

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

Nature Nanotechnology20181,788 citations

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

Physical Review B20051,120 citations

Hubbard parameters from density-functional perturbation theory

Physical review. B./Physical review. B2018343 citations