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20232026
most citedCavity engineered phonon-mediated superconductivity in MgB from first principles quantum electrodynamics

22 citations · 50 across the 19 of their papers we have counts for

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physics.chem-ph2026

Linear and nonlinear vibrational excitation driven by molecular polaritons

Wenxiang Ying, Carlos M. Bustamante, Franco P. Bonafé +5

Following our recent numerical study [arXiv:2601.16299 (2026)], we investigate vibrational excitation induced by transient optical driving in molecular ensembles strongly coupled t…

physics.chem-ph2025

Density-Functional Tight Binding Meets Maxwell: Unraveling the Mysteries of (Strong) Light-Matter Coupling Efficiently

Dominik Sidler, Carlos M. Bustamante, Franco P. Bonafe +3

Controlling chemical and material properties through strong light-matter coupling in optical cavities has gained considerable attention over the past decade. However, the underlyin…

physics.chem-ph2024★ 6 cited

Collectively-modified inter-molecular electron correlations: The connection of polaritonic chemistry and spin glass physics

Dominik Sidler, Michael Ruggenthaler, Angel Rubio

Polaritonic chemistry has garnered increasing attention in recent years due to pioneering experimental results, which show that site- and bond-selective chemistry at room temperatu…

physics.chem-ph2024

The relevance of degenerate states in chiral polaritonics

Carlos M. Bustamante, Dominik Sidler, Michael Ruggenthaler +1

In this work we explore theoretically whether a parity-violating/chiral light-matter interaction is required to capture all relevant aspects of chiral polaritonics or if a parity-c…

physics.chem-ph2024★ 4 cited

Relativistic Linear Response in Quantum-Electrodynamical Density Functional Theory

Lukas Konecny, Valeriia P. Kosheleva, Heiko Appel +2

We present the theoretical derivation and numerical implementation of the linear response equations for relativistic quantum electrodynamical density functional theory (QEDFT). In…

physics.chem-ph2023★ 4 cited

Exchange-only virial relation from the adiabatic connection

Andre Laestadius, Mihály A. Csirik, Markus Penz +4

The exchange-only virial relation due to Levy and Perdew is revisited. Invoking the adiabatic connection, we introduce the exchange energy in terms of the right-derivative of the u…