L. A. C. Malbouisson

GSA algorithm applied to electronic structure: Hartree–Fock–GSA method

M. D. de Andrade, Kleber C. Mundim, L. A. C. Malbouisson · International Journal of Quantum Chemistry · 2005 · 31 citations

Natural Sciences, Chemistry, Computational Chemistry +13

The use of neural networks for fitting potential energy surfaces: A comparative case study for the <i>H</i> molecule

T. M. Rocha Filho, Z. T. Oliveira, L. A. C. Malbouisson et al. · International Journal of Quantum Chemistry · 2003 · 28 citations

Natural Sciences, Chemistry, Physics +17

Carbon in copper and silver: diffusion and mechanical properties

David Fuks, Kleber C. Mundim, L. A. C. Malbouisson et al. · Journal of Molecular Structure THEOCHEM · 2001 · 28 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +12

Diffusion properties of tungsten from atomistic simulations with ab initio potentials

Kleber C. Mundim, L. A. C. Malbouisson, Simon Dorfman et al. · Journal of Molecular Structure THEOCHEM · 2001 · 16 citations · Full text

Natural Sciences, Materials Science, Physics +16

Atomic basis sets optimization using the generalized simulated annealing approach: New basis sets for the first row elements

Marcelo de Andrade, Marco Antônio Chaer Nascimento, Kleber C. Mundim et al. · International Journal of Quantum Chemistry · 2008 · 15 citations

Natural Sciences, Chemistry, Physics +11