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in real-world environments. Position Description: In this position, you will be a member of the Theory and Computation group working under the supervision of Sara Mason. You will play a key role in
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microscopy, modeling, materials theory, and nanofabrication. • You will carry out impactful nanomaterial research, publish papers, and give external presentations on your work. Position Requirements: • You
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. The program involves close collaborations with experts in theory and data science and will benefit from frequent interactions with principal investigators at the National Synchrotron Light Source II (NSLS-II
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or heterogeneous catalysis of small molecule activation. Density functional theory applications to transition-metal containing molecular complexes. Hybrid quantum mechanics/molecular mechanics (QM/MM) methods