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. To do so, you will combine atomistic simulations (density functional theory and ab-initio molecular dynamics simulations) with new machine learning models to parameterize machine learning force fields
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for catalysis of sustainable chemical processes. Visualizing Chemical Dynamics in Real Time Apply advanced atomic-resolution imaging and image analysis to uncover surface dynamics, reactivity and molecular
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for catalysis of sustainable chemical processes. Visualizing Chemical Dynamics in Real Time Apply advanced atomic-resolution imaging and image analysis to uncover surface dynamics, reactivity and molecular
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complex materials simulations. These agents will assist with setting up, executing, and optimizing electronic structure workflows, from standard ground-state Density Functional Theory (DFT) calculations