12
TITLE: Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems  Full Text
AUTHORS: Xavier Andrade; David Strubbe; Umberto De Giovannini; Ask H Hjorth Larsen; Micael J T Oliveira; Joseba Alberdi Rodriguez; Alejandro Varas; Iris Theophilou; Nicole Helbig; Matthieu J Verstraete; Lorenzo Stella; Fernando Nogueira; Alan Aspuru Guzik; Alberto Castro; Miguel A L Marques; Angel Rubio;
PUBLISHED: 2015, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 17, ISSUE: 47
INDEXED IN: WOS CrossRef: 118
13
TITLE: Accuracy of generalized gradient approximation functionals for density-functional perturbation theory calculations
AUTHORS: Lianhua H He; Fang Liu; Geoffroy Hautier; Micael J T Oliveira; Miguel A L Marques; Fernando D Vila; Rehr, JJ; M Rignanese; Aihui H Zhou;
PUBLISHED: 2014, SOURCE: PHYSICAL REVIEW B, VOLUME: 89, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef
14
TITLE: Benchmarking the AK13 Exchange Functional: Ionization Potentials and Electron Affinities  Full Text
AUTHORS: Tiago F T Cerqueira; Micael J T Oliveira; Miguel A L Marques;
PUBLISHED: 2014, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 10, ISSUE: 12
INDEXED IN: Scopus WOS CrossRef
15
TITLE: Full Color Modulation of Firefly Luciferase through Engineering with Unified Stark Effect
AUTHORS: Duanjun J Cai; Miguel A L Marques; Fernando Nogueira ;
PUBLISHED: 2013, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 117, ISSUE: 44
INDEXED IN: Scopus WOS CrossRef: 14
16
TITLE: LIBXC: A library of exchange and correlation functionals for density functional theory  Full Text
AUTHORS: Miguel A L Marques; Micael J T Oliveira; Tobias Burnus;
PUBLISHED: 2012, SOURCE: COMPUTER PHYSICS COMMUNICATIONS, VOLUME: 183, ISSUE: 10
INDEXED IN: Scopus WOS CrossRef
17
TITLE: Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project  Full Text
AUTHORS: Xavier Andrade; Joseba Alberdi Rodriguez; David A Strubbe; Micael J T Oliveira; Fernando Nogueira ; Alberto Castro; Javier Muguerza; Agustin Arruabarrena; Steven G Louie; Alan Aspuru Guzik; Angel Rubio; Miguel A L Marques;
PUBLISHED: 2012, SOURCE: JOURNAL OF PHYSICS-CONDENSED MATTER, VOLUME: 24, ISSUE: 23
INDEXED IN: Scopus WOS CrossRef: 80
19
TITLE: Fundamentals of time-dependent density functional theory
AUTHORS: Marques, MAL; Maitra, NT; Nogueira, FMS ; Gross, EKU; Rubio, A;
PUBLISHED: 2012, SOURCE: Lecture Notes in Physics, VOLUME: 837
INDEXED IN: Scopus
20
TITLE: Accurate Color Tuning of Firefly Chromophore by Modulation of Local Polarization Electrostatic Fields
AUTHORS: Duanjun J Cai; Miguel A L Marques; Fernando Nogueira ;
PUBLISHED: 2011, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 115, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef: 32
Page 2 of 5. Total results: 43.