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lifetimes of spins on surfaces. This approach combines electronic states obtained via a periodic quantum embedding (i.e., equation-of-motion coupled-cluster in periodic DFT, pbcEOM-CC) with a coarse-grained
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simulations, density functional theory (DFT), molecular simulations, or machine-learning potentials. Experience with generative AI, active learning, uncertainty quantification, Bayesian optimization
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molecular systems. Method development, potentially in the realm of time-dependent current DFT, will likely also be required as we learn about physical phenomena underlying the CISS effect. Bhat group
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