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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Generating relativistic pseudo-potentials with explicit incorporation of semi-core states using APE, the Atomic Pseudo-potentials Engine ✩
TL;DR: A computer package designed to generate and test norm-conserving pseudo-potential files suitable for the most widely used ab-initio packages and, besides the standard non-relativistic Hamann and Troullier–Martins potentials, it can generate pseudo- Potentials using the relativistic and semi-core extensions to the Troulliers scheme.
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Band widths and gaps from the Tran-Blaha functional: Comparison with many-body perturbation theory
David Waroquiers,Aurélien Lherbier,Anna Miglio,Martin Stankovski,Samuel Poncé,Micael J. T. Oliveira,Matteo Giantomassi,Gian-Marco Rignanese,Xavier Gonze +8 more
TL;DR: In this paper, the electronic band structures using the Tran-Blaha (TB09) functional were compared with those from the local density approximation (LDA) functional, many-body perturbation theory (MBPT), and experiments.
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Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats
Luca M. Ghiringhelli,Christian Carbogno,Sergey V. Levchenko,Fawzi Roberto Mohamed,Georg Huhs,Georg Huhs,M. Lüders,Micael J. T. Oliveira,Micael J. T. Oliveira,Matthias Scheffler,Matthias Scheffler +10 more
TL;DR: A key element of this work is the definition of hierarchical metadata describing state-of-the-art electronic-structure calculations, which was agreed upon by two teams and is presented in this perspective paper.
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Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
Nicolas Tancogne-Dejean,Micael J. T. Oliveira,Xavier Andrade,Heiko Appel,Carlos H. Borca,Carlos H. Borca,Guillaume Le Breton,Florian Buchholz,Andrea Castro,Stefano Corni,Alfredo A. Correa,Umberto De Giovannini,Alain Delgado,F. G. Eich,Johannes Flick,Gabriel Gil,Adrián Gomez,Nicole Helbig,Hannes Hübener,René Jestädt,Joaquim Jornet-Somoza,Ask Hjorth Larsen,Irina V. Lebedeva,M. Lüders,Miguel A. L. Marques,Sebastian T. Ohlmann,Silvio Pipolo,Markus Rampp,Carlo Andrea Rozzi,David A. Strubbe,Shunsuke A. Sato,Shunsuke A. Sato,Christian Schäfer,Iris Theophilou,Alicia Rae Welden,Angel Rubio,Angel Rubio +36 more
TL;DR: The major theoretical developments to address ultrafast light-driven processes, such as the new theoretical framework of quantum electrodynamics density-functional formalism for the description of novel light-matter hybrid states are described.
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Light-matter interactions within the Ehrenfest–Maxwell–Pauli–Kohn–Sham framework: fundamentals, implementation, and nano-optical applications
TL;DR: In recent years significant experimental advances in nano-scale fabrication techniques and in available light sources have opened the possibility to study a vast set of novel light-matter interacti....