Departamento de Química e Bioquímica da Faculdade de Ciências da Universidade de Lisboa; Grupo de Física Matemática da Universidade de Lisboa.

Scientific interests

• Ab Initio Molecular Dynamics
• Density Functional Theory
• Path Integrals and Quantum Monte Carlo
• Dynamics of Complex Systems
• Theoretical Chemistry
• Statistical Physics

Some publications

• "Hydration Effects on the Electronic Properties of Eumelanin building blocks", L. B. A. Oliveira, T. L. Fonseca, B. J. C. Cabral, K. Coutinho, S. Canuto, J. Chem. Phys. 145, 084501 (2016).
• "Probing Lewis Acid Base Interactions with Born-Oppenheimer Molecular Dynamics: The Electronic Absorption Spectrum of p-Nitroaniline in Supercritical CO₂", B. J. C. Cabral, R. Rivelino, K. Coutinho, S. Canuto, J. Phys. Chem. B 119, 8379–8405 (2015).
• "Dynamics of endo- vs. exo-complexation and electronic absorption of calix[4]arene-Ar₂", B. J. C. Cabral, K. Coutinho, S. Canuto, Chem. Phys. Lett. 612, 266–272 (2014).
• "Ab initio calculation of the electronic absorption spectrum of liquid water", H. F. M. C. Martiniano, N. Galamba, B. J. C. Cabral, J. Chem. Phys. 140, 165511 (2014).
• Born-Oppenheimer molecular dynamics and electronic properties of chlorophyll-c₂ in liquid methanol", B. J. C. Cabral, K. Coutinho, S. Canuto, J. Chem. Phys. 138, 225102 (2013).