Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
---|---|---|---|
1 |
Material Type: Livro
|
![]() |
A Física no Brasil na próxima décadaGil da Costa Marques; Sociedade Brasileira de FísicaSão Paulo Sociedade Brasileira de Física 1990-Localização: FE - Faculdade de Educação (53(81) S678f v.3 ) e outros locais(Acessar) |
2 |
Material Type: Artigo
|
![]() |
Propagators for the Time-Dependent Kohn–Sham Equations: Multistep, Runge–Kutta, Exponential Runge–Kutta, and Commutator Free Magnus MethodsGómez Pueyo, Adrián ; Marques, Miguel A. L ; Rubio, Angel ; Castro, AlbertoJournal of chemical theory and computation, 2018-06, Vol.14 (6), p.3040-3052 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
3 |
Material Type: Artigo
|
![]() |
Large-Scale Benchmark of Exchange–Correlation Functionals for the Determination of Electronic Band Gaps of SolidsBorlido, Pedro ; Aull, Thorsten ; Huran, Ahmad W ; Tran, Fabien ; Marques, Miguel A. L ; Botti, SilvanaJournal of chemical theory and computation, 2019-09, Vol.15 (9), p.5069-5079 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
4 |
Material Type: Artigo
|
![]() |
Machine Learning the Physical Nonlocal Exchange–Correlation Functional of Density-Functional TheorySchmidt, Jonathan ; Benavides-Riveros, Carlos L ; Marques, Miguel A. LThe journal of physical chemistry letters, 2019-10, Vol.10 (20), p.6425-6431 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
5 |
Material Type: Artigo
|
![]() |
Benchmarking the Starting Points of the GW Approximation for MoleculesBruneval, Fabien ; Marques, Miguel A. LJournal of chemical theory and computation, 2013-01, Vol.9 (1), p.324-329 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
6 |
Material Type: Artigo
|
![]() |
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systemsAndrade, Xavier ; Strubbe, David ; De Giovannini, Umberto ; Larsen, Ask Hjorth ; Oliveira, Micael J. T ; Alberdi-Rodriguez, Joseba ; Varas, Alejandro ; Theophilou, Iris ; Helbig, Nicole ; Verstraete, Matthieu J ; Stella, Lorenzo ; Nogueira, Fernando ; Aspuru-Guzik, Alán ; Castro, Alberto ; Marques, Miguel A. L ; Rubio, AngelPhysical chemistry chemical physics : PCCP, 2015-01, Vol.17 (47), p.31371-31396 [Periódico revisado por pares]England: Royal Society of ChemistryTexto completo disponível |
7 |
Material Type: Artigo
|
![]() |
Many recent density functionals are numerically ill-behavedLehtola, Susi ; Marques, Miguel A. L.The Journal of chemical physics, 2022-11, Vol.157 (17), p.174114-174114 [Periódico revisado por pares]Melville: American Institute of PhysicsTexto completo disponível |
8 |
Material Type: Artigo
|
![]() |
Neural network force fields for simple metals and semiconductors: construction and application to the calculation of phonons and melting temperaturesMarques, Mário R G ; Wolff, Jakob ; Steigemann, Conrad ; Marques, Miguel A LPhysical chemistry chemical physics : PCCP, 2019, Vol.21 (12), p.6506-6516 [Periódico revisado por pares]England: Royal Society of ChemistryTexto completo disponível |
9 |
Material Type: Artigo
|
![]() |
Reproducibility of density functional approximations: How new functionals should be reportedLehtola, Susi ; Marques, Miguel A. L.The Journal of chemical physics, 2023-09, Vol.159 (11) [Periódico revisado por pares]Melville: American Institute of PhysicsTexto completo disponível |
10 |
Material Type: Artigo
|
![]() |
Local Modified Becke-Johnson Exchange-Correlation Potential for Interfaces, Surfaces, and Two-Dimensional MaterialsRauch, Tomáš ; Marques, Miguel A. L ; Botti, SilvanaJournal of chemical theory and computation, 2020-04, Vol.16 (4), p.2654-2660 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |