| Time-dependent density functional theory MAL Marques, EKU Gross Annu. Rev. Phys. Chem. 55 (1), 427-455, 2004 | 1930 | 2004 |
| A primer in density functional theory C Fiolhais, F Nogueira, MAL Marques Springer, 2008 | 992 | 2008 |
| Fundamentals of time-dependent density functional theory MAL Marques, NT Maitra, FMS Nogueira, EKU Gross, A Rubio Springer Berlin Heidelberg 837, 130, 2012 | 918 | 2012 |
| 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 | 644 | 2015 |
| 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 | 344 | 2012 |
| 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 | 186 | 2008 |
| Pattern search methods for user-provided points: Application to molecular geometry problems P Alberto, F Nogueira, H Rocha, LN Vicente SIAM Journal on Optimization 14 (4), 1216-1236, 2004 | 96 | 2004 |
| High-throughput search of ternary chalcogenides for p-type transparent electrodes J Shi, TFT Cerqueira, W Cui, F Nogueira, S Botti, MAL Marques Scientific reports 7 (1), 43179, 2017 | 87 | 2017 |
| A tutorial on density functional theory F Nogueira, A Castro, MAL Marques A primer in density functional theory, 218-256, 2003 | 77 | 2003 |
| A Primer in density functional theory E Engel, C Fiolhais, F Nogueira, M Marques Lecture notes in physics 620, 56-122, 2003 | 76 | 2003 |
| A primer in density functional theory MAL Marques, EKU Gross, C Fiolhais, F Nogueira Lecture Notes in Physics 620, 144-184, 2003 | 73 | 2003 |
| On the influence of water on the electronic structure of firefly oxyluciferin anions from absorption spectroscopy of bare and monohydrated ions in vacuo K Støchkel, CN Hansen, J Houmøller, LM Nielsen, K Anggara, M Linares, ... Journal of the American Chemical Society 135 (17), 6485-6493, 2013 | 62 | 2013 |
| 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 | 58 | 2015 |
| Fragment molecular orbital investigation of the role of AMP protonation in firefly luciferase pH-sensitivity BF Milne, MAL Marques, F Nogueira Physical Chemistry Chemical Physics 12 (42), 14285-14293, 2010 | 52 | 2010 |
| Tests of a density-based local pseudopotential for sixteen simple metals L Pollack, JP Perdew, J He, M Marques, F Nogueira, C Fiolhais Physical Review B 55 (23), 15544, 1997 | 50 | 1997 |
| Transferability of a local pseudopotential based on solid-state electron density F Nogueira, C Fiolhais, J He, JP Perdew, A Rubio Journal of Physics: Condensed Matter 8 (3), 287, 1996 | 47 | 1996 |
| Accurate color tuning of firefly chromophore by modulation of local polarization electrostatic fields D Cai Biophysical Journal 98 (3), 581a-582a, 2010 | 41 | 2010 |
| Nonuniqueness of inverted core‐mantle boundary flows and deviations from tangential geostrophy MA Pais, O Oliveira, F Nogueira Journal of Geophysical Research: Solid Earth 109 (B8), 2004 | 40 | 2004 |
| Materials design on-the-fly TFT Cerqueira, R Sarmiento-Pérez, M Amsler, F Nogueira, S Botti, ... Journal of chemical theory and computation 11 (8), 3955-3960, 2015 | 36 | 2015 |
| Trends in the properties and structures of the simple metals from a universal local pseudopotential F Nogueira, C Fiolhais, JP Perdew Physical Review B 59 (4), 2570, 1999 | 36 | 1999 |
Miguel Alexandre Lopes MarquesRC-FEMS, ICAMS, and Faculty of Mechanical Engineering, Ruhr University BochumVerified email at rub.de
