M
Micael J. T. Oliveira
Researcher at Max Planck Society
Publications - 47
Citations - 6769
Micael J. T. Oliveira is an academic researcher from Max Planck Society. The author has contributed to research in topics: Density functional theory & Time-dependent density functional theory. The author has an hindex of 22, co-authored 45 publications receiving 5623 citations. Previous affiliations of Micael J. T. Oliveira include University of Coimbra & Claude Bernard University Lyon 1.
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ABINIT: First-principles approach to material and nanosystem properties
Xavier Gonze,Bernard Amadon,P.-M. Anglade,Jean-Michel Beuken,François Bottin,Paul Boulanger,Paul Boulanger,Fabien Bruneval,Damien Caliste,Razvan Caracas,Michel Côté,Thierry Deutsch,Luigi Genovese,Philippe Ghosez,Matteo Giantomassi,Stefan Goedecker,D. R. Hamann,Patrick Hermet,Patrick Hermet,F. Jollet,Gérald Jomard,Stéphane Leroux,M. Mancini,Stephane Mazevet,Micael J. T. Oliveira,Giovanni Onida,Yann Pouillon,Yann Pouillon,Tonatiuh Rangel,Gian-Marco Rignanese,Davide Sangalli,R. Shaltaf,Marc Torrent,Matthieu J. Verstraete,G. Zérah,Josef W. Zwanziger +35 more
TL;DR: The present paper provides an exhaustive account of the capabilities of ABINIT, with adequate references to the underlying theory, as well as the relevant input variables, tests and, if available, ABinIT tutorials.
Journal ArticleDOI
Octopus: a tool for the application of time-dependent density functional theory
Andrea Castro,H. Appel,Micael J. T. Oliveira,Carlo Andrea Rozzi,Xavier Andrade,Florian Lorenzen,Miguel A. L. Marques,E. K. U. Gross,Angel Rubio +8 more
TL;DR: The octopus project as mentioned in this paper is a large-scale parallelization of density-functional theory in the ground state and time-dependent density functional theory for dynamical effects, with a focus on the optical (i.e. electronic) linear response properties of nanostructures and biomolecules.
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Recent developments in the ABINIT software package
Xavier Gonze,F. Jollet,F. Abreu Araujo,Donat J. Adams,Bernard Amadon,Thomas Applencourt,Christophe Audouze,Jean-Michel Beuken,J. Bieder,A. Bokhanchuk,Eric Bousquet,Fabien Bruneval,Damien Caliste,Michel Côté,F. Dahm,F Da Pieve,M. Delaveau,M. Di Gennaro,Boris Dorado,C. Espejo,G. Geneste,Luigi Genovese,A. Gerossier,Matteo Giantomassi,Yannick Gillet,D. R. Hamann,L. He,Gérald Jomard,J. Laflamme Janssen,S. Le Roux,Antoine Levitt,Aurélien Lherbier,Fan Liu,Igor Lukačević,A. Martin,Carlos A. Martins,Micael J. T. Oliveira,Samuel Poncé,Yann Pouillon,Tonatiuh Rangel,Gian-Marco Rignanese,Alessandra Romero,Bruno Rousseau,Oleg Rubel,A.A. Shukri,Martin Stankovski,Marc Torrent,M. J. van Setten,B. Van Troeye,Matthieu J. Verstraete,David Waroquiers,Julia Wiktor,Bin Xu,A. Zhou,Josef W. Zwanziger +54 more
TL;DR: The present paper aims to describe the new capabilities of ABINIT that have been developed since 2009, which include new physical and technical features that allow electronic structure calculations impossible to carry out in the previous versions.
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Libxc: A library of exchange and correlation functionals for density functional theory
TL;DR: A library that contains routines to evaluate many of these functionals (around 180) and their derivatives, which are a fundamental part of any atomic, molecular, or solid-state code that uses density-functional theory.
Journal ArticleDOI
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
Xavier Andrade,Xavier Andrade,David A. Strubbe,Umberto De Giovannini,Ask Hjorth Larsen,Micael J. T. Oliveira,Joseba Alberdi-Rodriguez,Alejandro Varas,Iris Theophilou,Nicole Helbig,Matthieu J. Verstraete,Lorenzo Stella,Fernando Nogueira,Alán Aspuru-Guzik,Andrea Castro,Miguel A. L. Marques,Angel Rubio,Angel Rubio +17 more
TL;DR: This article discusses how the real-space approach has allowed for the recent development of new ideas for the simulation of electronic systems, and the exact solution of the Schrödinger equation for low-dimensionality systems.