3:15 PM-5:15 PM
Building 200, Room 2
In this minisymposium, experts in materials modeling will present new parallel quantum mechanical, local density approximation (LDA) materials application codes based on advanced computational and applied mathematical techniques. These techniques include the use of wavelets, multigrid, adaptive coordinate transformation and an approach similar to the fast multiple moment method. The introduction of massively parallel supercomputers has spawned the development of new parallel LDA real-space methods that approach linear scaling with the number of atoms comprising the system. These new methods overcome the poor cubic scaling of previous LDA based methods which drastically restricts its domain of applicability. These new methods can be used to realistically simulate materials properties that depend on large system sizes.
Organizer: William A. Shelton
Oak Ridge National Laboratory
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