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information Ability to model Argonne’s Core Values: Impact, Safety, Respect, Integrity, and Teamwork Desired skills, knowledge and abilities: Experience with large-scale molecular dynamics (MD) simulations
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. Quantum Mechanical Calculations: - Performing first-principles based or Density Functional Theory (DFT) calculations for molecules/materials and interphases - Utilizing Molecular Dynamics (MD) simulations
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simulations, design and conduct experiments, and analyze multimodal data streams in a continuous, real-time loop with minimal human intervention (https://www.nature.com/articles/s41524-024-01423-2 , https
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