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

• B. J. Costa Cabral, S. Canuto, "The enthalpy of the O-H bond homolytic dissociation: basis-set extrapolated density functional theory and coupled cluster calculations", Chemical Physics Letters 406, 300-305 (2005).
• S. S. M. C. Godinho, P. Cabral do Couto, B. J. Costa Cabral, "Polarization effects and charge separation in AgCl-water clusters", Journal of Chemical Physics 122, 044316-1-14 (2005).
• P. Cabral do Couto, S. G. Estácio, B. J. Costa Cabral, "The Kohn-Sham density of states and band gap of water: from small clusters to liquid water", Journal of Chemical Physics 123, 054510-1-10 (2005).
• N. Galamba, B. J. Costa Cabral, "First principles molecular dynamics of molten NaCl", Journal of Chemical Physics 126, 124502-1-8 (2007).
• P. Cabral do Couto, B. J. Costa Cabral, "Electronically excited water aggregates and the adiabatic band gap of water", Journal of Chemical Physics 126, 014509-1-9 (2007).