Publications [LaTeX]

Papers

International Journals

1 - High-throughput search of ternary chalcogenides for p-type transparent electrodes
Jingming Shi, Tiago F.T. Cerqueira, Wenwen Cui, Fernando Nogueira, Silvana Botti, Miguel A.L. Marques
Scientific Reports 7, 43179 (2017)

2 - Materials Design On-the-Fly
Tiago F. T. Cerqueira, Rafael Sarmiento-Pérez, Maximilian Amsler, F. Nogueira, Silvana Botti, Miguel A. L. Marques
J. Chem. Theory Comput. 11, 3955-3960 (2015)

3 - Density-based mixing parameter for hybrid functionals
M.A.L. Marques, J. Vidal, M.J.T. Oliveira, L. Reining, S. Botti
Phys. Rev. B 83, 035119 (2011)

4 - Modeling van der Waals interactions between proteins and inorganic surfaces from time-dependent density functional theory calculations
M.J.T. Oliveira, S. Botti, and M.A.L. Marques
Phys. Chem. Chem. Phys. 13, 15055-15061 (2011)

5 - Excitonic effects in the optical properties of CdSe nanowires
J.G. Vilhena, S. Botti, and M.A.L. Marques
accepted for publication in Appl. Phys. Lett. (2010)

6 - Optical and magnetic properties of boron fullerenes
S. Botti, A. Castro, N.N. Lathiotakis, X. Andrade, and M.A.L. Marques
Phys. Chem. Chem. Phys. 11, 4523-4527 (2009)

7 - Alloying effects on the optical properties of Ge_1-xSi_x nanocrystals from TDDFT and comparison with effective-medium theory
S. Botti, H.-C. Weissker, and M.A.L. Marques
Phys. Rev. B 79, 155440 (2009)

8 - Ab initio calculation and modelling of van der Waals interactions between nanostructures and surfaces
S. Botti, A. Castro, X. Andrade, A. Rubio, and M.A.L. Marques
Phys. Rev. B 78, 035333 (2008)

9 - Efficient calculation of van der Waals dispersion coefficients with time-dependent density functional theory in real time: application to polycyclic aromatic hydrocarbons
M.A.L. Marques, A. Castro, G. Malloci, G. Mulas, and S. Botti
J. Chem. Phys. 127, 014107 (2007)

10 - Identification of CdSe fullerene-like nanoparticles from optical spectroscopy calculations
S. Botti and M.A.L. Marques
Phys. Rev. B 75, 035311 (2007)

11 - A time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities
Xavier Andrade, Silvana Botti, M.A.L. Marques, and Angel Rubio
J. Chem. Phys. 126, 184106 (2007)

12 - The planar-to-tubular structural transition in boron clusters from optical absorption
M.A.L. Marques, Silvana Botti
J. Chem. Phys. 123, 014310 (2005)

Portuguese Journals

13 - O que É a Teoria dos Funcionais da Densidade?
Miguel A. L. Marques e Silvana Botti
Gazeta de Física 29-4, 10-15 (2006)

Communications

Poster

14 - Modeling van der Waals interactions between proteins and inorganic surfaces from ab-initio calculations
M.J.T. Oliveira, S. Botti, and M.A.L. Marques
ETSF Workshop 2010 Berlin, Germany, October 12-15 (2010)

15 - Modeling van der Waals interactions between proteins and inorganic surfaces from ab-initio calculations
M.J.T. Oliveira, S. Botti, and M.A.L. Marques
Psi-k Conference 2010 Berlin, Germany, September 12-16 (2010)

Projects