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cond-mat.mtrl-sci2013
Method and Advantages of Genetic Algorithms in Parameterization of Interatomic Potentials: Metal-Oxides
Jose Solomon, Peter Chung, Deepak Srivastava +1
The method and the advantages of an evolutionary computing based approach using a steady state genetic algorithm (GA) for the parameterization of interatomic potentials for metal o…
cond-mat.mtrl-sci2002
Thermal Expansion and Diffusion Coefficients of Carbon Nanotube-Polymer Composites
Chenyu Wei, Deepak Srivastava, Kyeongjae Cho
Classical molecular dynamics (MD) simulations employing Brenner potential for intra-nanotube interactions and Van der Waals forces for polymer-nanotube interfaces are used to invet…