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Laboratório de Modelagem de Sistemas Complexos

Some Applications

Classical Molecular Dynamics - THOR
    THOR- New Classical Force Field parametrized to Biomolecules and Solids

Stochastic Molecular Dynamics - Generalized Simulated Annealing (GSA)
    A stochastic MD method is used to mapping minima configuration on a semi-classical molecular energy surface

d-Quantum Mechanics
    N
ew approaches for Hartree-Fock theory

Dinâmica de Reações de Núcleos usando Generalized Simulated Annealing (GSA)  

     Determinação de Hiper-Superfície de Energia para Sistemas Tri-atômicos    (text in portuguese)

Liquid Crystals
    Hamiltonian Dynamics of the Landau Model of Ferroelectric Liquid Crystals

Grassmann Algebra in Quantum Chemistry --(text in portuguese)
     An alternative formulation to the quantum theory of molecular orbital in terms of Grassmann Algebra

Hybrid Classical and Quantum Mechanics Approach for Molecular Dynamics
    Modelagem Molecular Aplicada a Sólidos e Biomoléculas