ABINIT: First-principles approach to material and nanosystem properties X Gonze, B Amadon, PM Anglade, JM Beuken, F Bottin, P Boulanger, ...
Computer Physics Communications 180 (12), 2582-2615, 2009
3069 2009 Recent developments in the ABINIT software package X Gonze, F Jollet, FA Araujo, D Adams, B Amadon, T Applencourt, ...
Computer Physics Communications 205, 106-131, 2016
876 2016 octopus: a tool for the application of time‐dependent density functional theory A Castro, H Appel, M Oliveira, CA Rozzi, X Andrade, F Lorenzen, ...
physica status solidi (b) 243 (11), 2465-2488, 2006
750 2006 Libxc: A library of exchange and correlation functionals for density functional theory MAL Marques, MJT Oliveira, T Burnus
Computer Physics Communications 183 (10), 2272-2281, 2012
696 2012 Recent developments in libxc—A comprehensive library of functionals for density functional theory S Lehtola, C Steigemann, MJT Oliveira, MAL Marques
SoftwareX 7, 1-5, 2018
683 2018 Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems X Andrade, D Strubbe, U De Giovannini, AH Larsen, MJT Oliveira, ...
Physical Chemistry Chemical Physics 17 (47), 31371-31396, 2015
586 2015 Density-based mixing parameter for hybrid functionals MAL Marques, J Vidal, MJT Oliveira, L Reining, S Botti
Physical Review B—Condensed Matter and Materials Physics 83 (3), 035119, 2011
427 2011 Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems N Tancogne-Dejean, MJT Oliveira, X Andrade, H Appel, CH Borca, ...
The Journal of Chemical Physics 152 (12), 124119, 2020
364 2020 Time-dependent density-functional theory in massively parallel computer architectures: the octopus project X Andrade, J Alberdi-Rodriguez, DA Strubbe, MJT Oliveira, F Nogueira, ...
Journal of Physics: Condensed Matter 24 (23), 233202, 2012
329 2012 Accuracy of generalized gradient approximation functionals for density-functional perturbation theory calculations L He, F Liu, G Hautier, MJT Oliveira, MAL Marques, FD Vila, JJ Rehr, ...
Physical Review B 89 (6), 064305, 2014
233 2014 Generating relativistic pseudo-potentials with explicit incorporation of semi-core states using APE, the Atomic Pseudo-potentials Engine MJT Oliveira, F Nogueira
Computer Physics Communications 178 (7), 524-534, 2008
180 2008 Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats LM Ghiringhelli, C Carbogno, S Levchenko, F Mohamed, G Huhs, ...
npj computational materials 3 (1), 46, 2017
109 2017 Band widths and gaps from the Tran-Blaha functional: Comparison with many-body perturbation theory D Waroquiers, A Lherbier, A Miglio, M Stankovski, S Poncé, MJT Oliveira, ...
Physical Review B—Condensed Matter and Materials Physics 87 (7), 075121, 2013
99 2013 Light-matter interactions within the Ehrenfest–Maxwell–Pauli–Kohn–Sham framework: fundamentals, implementation, and nano-optical applications R Jestädt, M Ruggenthaler, MJT Oliveira, A Rubio, H Appel
Advances in Physics 68 (4), 225-333, 2019
98 2019 Self-consistent N Tancogne-Dejean, MJT Oliveira, A Rubio
Physical Review B 96 (24), 245133, 2017
79 2017 Insights into colour-tuning of chlorophyll optical response in green plants J Jornet-Somoza, J Alberdi-Rodriguez, BF Milne, X Andrade, ...
Physical Chemistry Chemical Physics 17 (40), 26599-26606, 2015
59 2015 The role of dimensionality on the quenching of spin-orbit effects in the optics of gold nanostructures A Castro, MAL Marques, AH Romero, MJT Oliveira, A Rubio
The Journal of chemical physics 129 (14), 144110, 2008
44 2008 Time-dependent density-functional theory of strong-field ionization of atoms by soft x rays A Crawford-Uranga, U De Giovannini, E Räsänen, MJT Oliveira, ...
Physical Review A 90 (3), 033412, 2014
38 2014 A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculations P García‐Risueño, J Alberdi‐Rodriguez, MJT Oliveira, X Andrade, ...
Journal of computational chemistry 35 (6), 427-444, 2014
38 2014 Optical and magnetic excitations of metal-encapsulating Si cages: A systematic study by time-dependent density functional theory MJT Oliveira, PVC Medeiros, JRF Sousa, F Nogueira, GK Gueorguiev
The Journal of Physical Chemistry C 118 (21), 11377-11384, 2014
33 2014 
Miguel Alexandre Lopes MarquesRC-FEMS, ICAMS, and Faculty of Mechanical Engineering, Ruhr University BochumBestätigte E-Mail-Adresse bei rub.de
