Research Highlights
Selected for the JCP: Biochemical Physics (Cover of the issue)
Born-Oppenheimer molecular dynamics and the electronic properties of chlorophyll-c2 in liquid methanol.
Benedito J. C. Cabral, Kaline Coutinho and Sylvio Canuto
Journal of Chemical Physics, 138, 225102 (2013).
Selected papers for the Virtual Journal of Biological Physics Research:
1.Vir. J. Bio. Phys. Res., Volume 22, Issue 8, PHYSICS OF WATER AND HYDROGEN-BONDED SOLVENTS; V. Manzoni, M. L. Lyra, K. Coutinho, and S. Canuto J. Chem. Phys. 135, 144103 (2011).
2.Vir. J. Bio. Phys. Res., Volume 17, Issue 2, PHYSICS OF WATER AND HYDROGEN-BONDED SOLVENTS; R. A. Mata, B. J. Costa Cabral, C. Millot, K. Coutinho, and S. Canuto J. Chem. Phys. 130, 014505 (2009)
3.Vir. J. Bio. Phys. Res., Volume 17, Issue 5, QUANTUM MECHANICAL DYNAMICS; R. C. Barreto, K. Coutinho, H. C. Georg, and S. Canuto Phys. Chem. Chem. Phys. 11, 1388 (2009).
4.Vir. J. Bio. Phys. Res., Volume 13, Issue 3, PHYSICS OF WATER AND HYDROGEN-BONDED SOLVENTS; H. C. Georg, K. Coutinho, and S. Canuto J. Chem. Phys. 126, 034507 (2007).
5.Vir. J. Bio. Phys. Res., Volume 13, Issue 3, PHYSICS OF WATER AND HYDROGEN-BONDED SOLVENTS; T. L. Fonseca, K. Coutinho, and S. Canuto J. Chem. Phys. 126, 034508 (2007).
6.Vir. J. Bio. Phys. Res., Volume 9, Issue 1, QUANTUM MECHANICAL DYNAMICS; V. Ludwig, K. Coutinho, and S. Canuto Phys. Rev. B 70, 214110 (2004).
7.Vir. J. Bio. Phys. Res., Volume 7, Issue 12, QUANTUM MECHANICAL DYNAMICS; Kaline Coutinho, Valdemir Ludwig, and Sylvio Canuto Phys. Rev. E 69, 061902 (2004).
8.Vir. J. Bio. Phys. Res., Volume 6, Issue 1, PHYSICS OF WATER AND HYDROGEN-BONDED SOLVENTS; E. E. Fileti, K. Coutinho, T. Malaspina, and S. Canuto Phys. Rev. E 67, 061504 (2003).
9.Vir. J. Bio. Phys. Res., Volume 1, Issue 11, QUANTUM MECHANICAL DYNAMICS; K. Coutinho and S. Canuto J. Chem. Phys. 113, 9132 (2000).
10.Vir. J. Bio. Phys. Res., Volume 1, Issue 6, PHYSICS OF WATER AND HYDROGEN-BONDED SOLVENTS; K. Coutinho, S. Canuto, and M. C. Zerner J. Chem. Phys. 112, 9874 (2000).
DICE:
In collaboration with Dr. K. Coutinho we have developed the Monte Carlo program, DICE, that performs metropolis Monte Carlo as well as reverse Monte Carlo and thermodynamic perturbation theory. It also performs solvation shell analysis, hydrogen bonds investigations and interfaces with several quantum chemical programs for subsequent quantum mechanical calculations.
Recent events organized
7th International Meeting on Photodynamics and Related Aspects
Maresias Beach, São Paulo, SP Brazil | 14th - 20th October, 2012