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Ab-initio molecular dynamics: a quantum-mechanical approach for the simulation of materials

Categories: Materials Science and Engineering (MSE)
Speaker: Roberto Car, Princeton University
Date & Time: September 29, 2009 - 12:10pm
Location: CCR 201

Structural transformations and dynamical processes in materials have their origin in the interplay of electronic and nuclear dynamics. These phenomena can be predicted, often with surprising accuracy, by modern computational approaches, resulting in unprecedented levels of insight on the behavior of matter at the nanoscale. In this talk I will review the basic principles of this methodology and will discuss some of the challenges currently facing the research in this field.

pdf CV Roberto Car

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