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MAT 306 Computational Techniques for Materials at the Nano-scale Select Term:
Modeling techniques operative at the atomistic and mesoscopic time and length scales. All-atom methods; force fields. Conformational searching. Statistical mechanics concepts relevant for molecular simulations. Normal mode analysis in one- and two- dimensions and its relation to spectroscopy. Setting-up molecular dynamics simulations and basic analyses of the trajectories. Introduction to particle-based mesoscopic simulations. Self-organization at the molecular scale.
SU Credits : 3.000
ECTS Credit : 6.000
Prerequisite : -
Corequisite : MAT 306