Initiative for Computational Catalysis: Publications
Read the latest papers published by our scientists.
Results
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Nonperturbative mass renormalization effects in nonrelativistic quantum electrodynamics
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Simulating anharmonic vibrational polaritons beyond the long wavelength approximation.
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Cavity electrodynamics of van der Waals heterostructures.
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Adsorption and vibrational spectroscopy of CO on the surface of MgO from periodic local coupled-cluster theory.
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Periodic Local Coupled-Cluster Theory for Insulators and Metals.
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Spontaneous emergence of phonon angular momentum through hybridization with magnons
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Reaction Rate Theory for Electric Field Catalysis in Solution.
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Reaction Rate Theory for Electric Field Catalysis in Solution
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Effective Equilibrium Theory of Quantum Light-Matter Interaction in Cavities: Extended Systems and the Long Wavelength Approximation