275 citations · 997 across the 17 of their papers we have counts for
17 papers
A Hierarchical Approach to Quantum Many-Body Systems in Non-Markovian Environments
Kai Müller, Kimmo Luoma, Christian Schäfer
Quantum many-body systems in cavities combine the rich physics of condensed matter systems or quantum chemistry with strong coupling to the surrounding electromagnetic field. In th…
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…
Chiral Polaritonics: Analytic Solutions, Intuition and its Use
Christian Schäfer, Denis G. Baranov
Preferential selection of a given enantiomer over its chiral counterpart becomes increasingly relevant in the advent of the next era of medical drug design. In parallel, cavity qua…
Dynamic of Single Molecules in Collective Light-Matter States from First Principles
Christian Schäfer
The coherent interaction of a large collection of molecules with a common photonic mode results in strong light-matter coupling, a feature that proved highly beneficial for chemist…
A Shortcut to Self-Consistent Light-Matter Interaction and Realistic Spectra from First-Principles
Christian Schäfer, Göran Johansson
We introduce a simple approach how an electromagnetic environment can be efficiently embedded into state-of-the-art electronic structure methods, taking the form of radiation-react…
A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity
Dominik Sidler, Michael Ruggenthaler, Christian Schäfer +2
This perspective provides a brief introduction into the theoretical complexity of polaritonic chemistry, which emerges from the hybrid nature of strongly coupled light-matter state…
Making ab initio QED functional(s): Non-perturbative and photon-free effective frameworks for strong light-matter coupling
Christian Schäfer, Florian Buchholz, Markus Penz +2
Strong light-matter coupling provides a promising path for the control of quantum matter where the latter is routinely described from first-principles. However, combining the quant…
Simulating terahertz field-induced ferroelectricity in quantum paraelectric SrTiO
Dongbin Shin, Simone Latini, Christian Schafer +5
Recent experiments have demonstrated that light can induce a transition from the quantum paraelectric to the ferroelectric phase of SrTiO. Here, we investigate this terahertz f…
Shining Light on the Microscopic Resonant Mechanism Responsible for Cavity-Mediated Chemical Reactivity
Christian Schäfer, Johannes Flick, Enrico Ronca +2
Strong light-matter interaction in cavity environments is emerging as a promising approach to control chemical reactions in a non-intrusive and efficient manner. The underlying mec…
Ab-initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground state
Johannes Flick, Christian Schäfer, Michael Ruggenthaler +2
We introduce a simple scheme to efficiently compute photon exchange-correlation contributions due to the coupling to transversal photons as formulated in the newly developed quantu…
The second order hydrodynamic transport coefficient for the gluon plasma from the lattice
Owe Philipsen, Christian Schäfer
The quark gluon plasma produced in heavy ion collisions behaves like an almost ideal fluid described by viscous hydrodynamics with a number of transport coefficients. The second or…
LatticeQCD using OpenCL
Matthias Bach, Owe Philipsen, Christopher Pinke +2
We report on our implementation of LatticeQCD applications using OpenCL. We focus on the general concept and on distributing different parts on hybrid systems, consisting of both C…