Atomistic modeling of materials - mit
Atomistic modeling of materials - mit
Atomistic modeling of materials - mit
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Outline for discussion <strong>of</strong> empirical energy modelsDiscussion <strong>of</strong> pair potentials: forms and physical li<strong>mit</strong>ationsClassification <strong>of</strong> empirical modelsMany-body potentialsPair FunctionalsEnvironment dependent potentials in chemistryObjective: Become familiar with typical forms and understand li<strong>mit</strong>ations <strong>of</strong> various choices. Focus is on forms, not on parameters2/1/05 Massachusetts Institute <strong>of</strong> Technology 3.320 <strong>Atomistic</strong> Modeling <strong>of</strong> Materials G. Ceder and N Marzari
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