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Cooling down trees for finite-temperature quantum dynamics: Purification within ML-MCTDH
Niclas Krupp, Oriol Vendrell
Simulating multidimensional quantum systems at finite temperature is inherently challenging as the system is no longer described by a single, pure-state wavefunction but by a densi…
First principles simulation of the collective rovibronic ground state in a cavity
Niclas Krupp, Moritz Huber, Cheng Luo +1
Strong light-matter coupling in Fabry-Perot cavities can modify ground-state molecular reactivity, charge and energy transport, while modifications to single-molecule properties ha…
Quantum dynamics simulation of exciton-polariton transport
Niclas Krupp, Gerrit Groenhof, Oriol Vendrell
Strong coupling between excitons and confined modes of light presents a promising pathway to tunable and enhanced energy transport in organic materials. By forming hybrid light-mat…
Collective rovibronic dynamics of a diatomic gas coupled by cavity
Niclas Krupp, Oriol Vendrell
We consider an ensemble of homonuclear diatomic molecules coupled to the two polarization directions of a Fabry-Pérot cavity via fully quantum simulations. Accompanied by analytica…