Research

With Computational Materials Science rapidly evolving and growing in importance, it is critical to develop algorithms in conjunction with new theoretical developments, modern computer science approaches, and real experiments, and to produce successful multidisciplinary work.

The themes within the area of Computational Materials Science in which the MCC encourages cooperative research amongst its members and affiliates are:

At a meeting in Fall 2005, Duane Johnson gave an overview of MCC (.ppt).

Classical/Quantum Simulations and Photo-Chemistry

Code Development: QMC++ and applications

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Posters

Spintronics/Electronics in Quantum Dots

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Posters

TD-DFT in Realtime

Presentations

Posters

Complex Systems and Transformations

Dynamically Driven Systems

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Posters

Multiscale Methods: Multiscale Continuum-Atomistic Coupling

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Posters

Multiscale Methods: Polymeric and Polyelectrolytic Materials

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Computer Science and Scalable Parallel Methods for Materials Modeling

Accurate Quantum Chemistry via Machine-Learning and Evolutionary Algorithms

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CS Solvers and Materials Science

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  • N/A

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Playstation and IBM Cell Architecture

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MCC Outreach, Educational, and Service Activities

Below are links to posters and presentations about MCC's outreach, educational, and service activities.

Summer schools, workshops, travel and visitor programs

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Software Archive

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