275 citations · 997 across the 17 of their papers we have counts for
6 papers · 1 filter
Collective Strong Coupling Modifies Aggregation and Solvation
Matteo Castagnola, Tor S. Haugland, Enrico Ronca +2
Intermolecular interactions are pivotal for aggregation, solvation, and crystallization. We demonstrate that the collective strong coupling of several molecules to a single optical…
Effective Equilibrium Theory of Quantum Light-Matter Interaction in Cavities: Extended Systems and the Long Wavelength Approximation
Mark Kamper Svendsen, Michael Ruggenthaler, Hannes Hübener +4
When light and matter interact strongly, the resulting hybrid system inherits properties from both constituents, allowing one to modify material behavior by engineering the surroun…
Tensorial properties via the neuroevolution potential framework: Fast simulation of infrared and Raman spectra
Nan Xu, Petter Rosander, Christian Schäfer +7
Infrared and Raman spectroscopy are widely used for the characterization of gases, liquids, and solids, as the spectra contain a wealth of information concerning in particular the…
Machine Learning for Polaritonic Chemistry: Accessing chemical kinetics
Christian Schäfer, Jakub Fojt, Eric Lindgren +1
Altering chemical reactivity and material structure in confined optical environments is on the rise, and yet, a conclusive understanding of the microscopic mechanisms remains elusi…
GPAW: An open Python package for electronic-structure calculations
Jens Jørgen Mortensen, Ask Hjorth Larsen, Mikael Kuisma +44
We review the GPAW open-source Python package for electronic structure calculations. GPAW is based on the projector-augmented wave method and can solve the self-consistent density…
Optimizing Variational Quantum Algorithms with qBang: Efficiently Interweaving Metric and Momentum to Navigate Flat Energy Landscapes
David Fitzek, Robert S. Jonsson, Werner Dobrautz +1
Variational quantum algorithms (VQAs) represent a promising approach to utilizing current quantum computing infrastructures. VQAs are based on a parameterized quantum circuit optim…