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materials simulation & theory

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  • Hyeondeok Shin

    Physicist & computational scientist with expertise in chemistry, condensed matter physics, & computational physics. He specializes in methods & applications of Density Functional Theory, Quantum Chemistry, & Quantum Monte Carlo for functional materials.
  • Christopher J. Knight

    Christopher’s interests include development of large-scale molecular simulation algorithms and understanding scientific application performance on future computational resources.
  • Graham D. Fletcher

    Graham Fletcher has a background in quantum chemistry and supercomputing. His research interests focus on the development of highly scalable methods and algorithms for the accurate and reliable prediction of chemical phenomena.
  • Nichols A. Romero

    Computational scientist with over 10 years’ experience designing, developing, and optimizing scientific software (chemistry, climate, material science) for high-performance computing platforms. Five of those years as a group leader in ALCF.
  • Electrons in the water

    It’s a popular tradition to throw coins into fountains in the hopes of having wishes granted. But what would happen if you could throw” electrons into the water instead? That is, what happens shortly after an electron is injected into water?