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Andrea Cepellotti
Researcher at University of California, Berkeley
Publications - 34
Citations - 3388
Andrea Cepellotti is an academic researcher from University of California, Berkeley. The author has contributed to research in topics: Boltzmann equation & Thermal conductivity. The author has an hindex of 15, co-authored 34 publications receiving 2437 citations. Previous affiliations of Andrea Cepellotti include Lawrence Berkeley National Laboratory & University of Trieste.
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Journal ArticleDOI
Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds
Nicolas Mounet,Marco Gibertini,Philippe Schwaller,Davide Campi,Andrius Merkys,Andrius Merkys,Antimo Marrazzo,Thibault Sohier,Ivano E. Castelli,Andrea Cepellotti,Giovanni Pizzi,Nicola Marzari +11 more
TL;DR: The largest available database of potentially exfoliable 2D materials has been obtained via high-throughput calculations using van der Waals density functional theory.
Journal ArticleDOI
Thermal Conductivity of Graphene and Graphite: Collective Excitations and Mean Free Paths
Giorgia Fugallo,Andrea Cepellotti,Lorenzo Paulatto,Michele Lazzeri,Nicola Marzari,Francesco Mauri +5 more
TL;DR: The thermal conductivity of graphite, monolayer graphene, graphane, fluorographane, and bilayer graphene is characterized, solving exactly the Boltzmann transport equation for phonons, with phonon-phonon collision rates obtained from density functional perturbation theory.
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AiiDA: automated interactive infrastructure and database for computational science
TL;DR: The paradigm sustaining such vision is illustrated, based around the four pillars of Automation, Data, Environment, and Sharing, and it is believed that AiiDA's design and its sharing capabilities will encourage the creation of social ecosystems to disseminate codes, data, and scientific workflows.
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Phonon hydrodynamics in two-dimensional materials
Andrea Cepellotti,Giorgia Fugallo,Lorenzo Paulatto,Michele Lazzeri,Francesco Mauri,Nicola Marzari +5 more
TL;DR: Here, density-functional perturbation theory and an exact, variational solution of the Boltzmann transport equation are used to study fully from first-principles phonon transport and heat conductivity in graphene, boron nitride, molybdenum disulphide and the functionalized derivatives graphane and fluorographene.
Journal ArticleDOI
AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance.
Sebastiaan P. Huber,Spyros Zoupanos,Martin Uhrin,Leopold Talirz,Leonid Kahle,Rico Häuselmann,Dominik Gresch,Tiziano Müller,Aliaksandr V. Yakutovich,Casper W. Andersen,Francisco F. Ramirez,Carl S. Adorf,Fernando Gargiulo,Snehal Kumbhar,Elsa Passaro,Conrad Johnston,Andrius Merkys,Andrea Cepellotti,Nicolas Mounet,Nicola Marzari,Boris Kozinsky,Giovanni Pizzi +21 more
TL;DR: AiiDA as mentioned in this paper is an open-source high-throughput infrastructure addressing the challenges arising from the needs of automated workflow management and data provenance recording, supporting throughputs of tens of thousands of processes/hour.