Christian Schäfer

Researcher at Condensed Matter and Materials Theory

Source: chalmers.se

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Publications (15)
Projects (0)

Showing 15 publications

2024

Quantized embedding approaches for collective strong coupling-Connecting ab initio and macroscopic QED to simple models in polaritonics

Frieder Lindel, Dominik Lentrodt, Stefan Yoshi Buhmann et al

Journal of Chemical Physics. Vol. 161 (15)

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2024

GPAW: An open Python package for electronic structure calculations

Jens Jorgen Mortensen, Ask Hjorth Larsen, Mikael Kuisma et al

Journal of Chemical Physics. Vol. 160 (9)

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2024

Collective Strong Coupling Modifies Aggregation and Solvation

Matteo Castagnola, Tor S. Haugland, Enrico Ronca et al

Journal of Physical Chemistry Letters. Vol. 15, p. 1428-1434

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2024

Optimizing Variational Quantum Algorithms with qBang: Efficiently Interweaving Metric and Momentum to Navigate Flat Energy Landscapes

David Fitzek, Robert Jonsson, Werner Barucha-Dobrautz et al

Quantum. Vol. 8

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2024

Tensorial Properties via the Neuroevolution Potential Framework: Fast Simulation of Infrared and Raman Spectra

Nan Xu, Petter Rosander, Christian Schäfer et al

Journal of Chemical Theory and Computation. Vol. 20 (8), p. 3273-3284

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2024

Machine Learning for Polaritonic Chemistry: Accessing Chemical Kinetics

Christian Schäfer, Jakub Fojt, Eric Lindgren et al

Journal of the American Chemical Society. Vol. 146 (8), p. 5402-5413

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2024

Controlling Plasmonic Catalysis via Strong Coupling with Electromagnetic Resonators

Jakub Fojt, Paul Erhart, Christian Schäfer

Nano Letters. Vol. 24 (38), p. 11913-11920

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2023

Chiral Polaritonics: Analytical Solutions, Intuition, and Use

Christian Schäfer, Denis G. Baranov

Journal of Physical Chemistry Letters. Vol. 14 (15), p. 3777-3784

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2023

Toward Molecular Chiral Polaritons

Denis G. Baranov, Christian Schäfer, Maxim V. Gorkunov

ACS Photonics. Vol. 10 (8), p. 2440-2455

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2022

A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity

Dominik Sidler, Michael Ruggenthaler, Christian Schäfer et al

Journal of Chemical Physics. Vol. 156 (23)

Journal article

2022

Simulating Terahertz Field-Induced Ferroelectricity in Quantum Paraelectric SrTiO3

Dongbin Shin, Simone Latini, Christian Schäfer et al

Physical Review Letters. Vol. 129 (16)

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2022

Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity

Christian Schäfer, Johannes Flick, Enrico Ronca et al

Nature Communications. Vol. 13 (1)

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2022

Shortcut to Self-Consistent Light-Matter Interaction and Realistic Spectra from First Principles

Christian Schäfer, Göran Johansson

Physical Review Letters. Vol. 128 (15)

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2022

Polaritonic Chemistry from First Principles via Embedding Radiation Reaction

Christian Schäfer

Journal of Physical Chemistry Letters. Vol. 13 (30), p. 6905-6911

Journal article

2021

Making ab initio QED functional(s): Nonperturbative and photon-free effective frameworks for strong light-matter coupling

Christian Schäfer, Florian Buchholz, Markus Penz et al

Proceedings of the National Academy of Sciences of the United States of America. Vol. 118 (41)

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