Polaritonic Chemistry from First Principles via Embedding Radiation Reaction

Probing Light-Induced Conical Intersections by Monitoring Multidimensional Polaritonic Surfaces

(2022) Csaba Fábri et al.   Journal of Physical Chemistry Letters

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

(2022) Dominik Sidler et al.   JOURNAL OF CHEMICAL PHYSICS

Suppression and Enhancement of Thermal Chemical Rates in a Cavity

(2022) Jing Sun et al.   Journal of Physical Chemistry Letters

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

(2022) Christian Schäfer et al.   PHYSICAL REVIEW LETTERS

Cavity quantum materials

(2022) F. Schlawin et al.   Applied Physics Reviews

Intermolecular interactions in optical cavities: An ab initio QED study

(2021) Tor S. Haugland et al.   JOURNAL OF CHEMICAL PHYSICS

Cavity frequency-dependent theory for vibrational polariton chemistry

(2021) Xinyang Li et al.   Nature Communications

Mode-Specific Chemistry through Vibrational Strong Coupling (or A Wish Come True)

(2021) Blake S. Simpkins et al.   Journal of Physical Chemistry C

Strong Coupling between Localized Surface Plasmons and Molecules by Coupled Cluster Theory

(2021) Jacopo Fregoni et al.   NANO LETTERS

The ferroelectric photo ground state of SrTiO3: Cavity materials engineering

(2021) Simone Latini et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Manipulating matter by strong coupling to vacuum fields

(2021) Francisco J. Garcia-Vidal et al.   SCIENCE

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

(2021) Christian Schäfer et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Quantum computing with exciton-polariton condensates

(2020) Sanjib Ghosh et al.   npj Quantum Information

Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

(2020) Nicolas Tancogne-Dejean et al.   JOURNAL OF CHEMICAL PHYSICS

Ultrastrong coupling between nanoparticle plasmons and cavity photons at ambient conditions

(2020) Denis G. Baranov et al.   Nature Communications

Environmental effects with Frozen Density Embedding in Real-Time Time-Dependent Density Functional Theory using localized basis functions

(2020) Matteo De Santis et al.   Journal of Chemical Theory and Computation

Exploiting chemistry and molecular systems for quantum information science

(2020) Michael R. Wasielewski et al.   Nature Reviews Chemistry

Floquet states in dissipative open quantum systems

(2020) S A Sato et al.   JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS

Polaritonic Chemistry: Collective Strong Coupling Implies Strong Local Modification of Chemical Properties

(2020) Dominik Sidler et al.   Journal of Physical Chemistry Letters

Tilting a ground-state reactivity landscape by vibrational strong coupling

(2019) A. Thomas et al.   SCIENCE

Polariton chemistry: Thinking inside the (photon) box

(2019) Joel Yuen-Zhou et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Modification of excitation and charge transfer in cavity quantum-electrodynamical chemistry

(2019) Christian Schäfer et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Multiscale modelling of photoinduced processes in composite systems

(2019) Benedetta Mennucci et al.   Nature Reviews Chemistry

Cavity Catalysis by Cooperative Vibrational Strong Coupling of Reactant and Solvent Molecules

(2019) Jyoti Lather et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Ultrastrong coupling regimes of light-matter interaction

(2019) P. Forn-Díaz et al.   REVIEWS OF MODERN PHYSICS

Tracking Polariton Relaxation with Multiscale Molecular Dynamics Simulations

(2019) Gerrit Groenhof et al.   Journal of Physical Chemistry Letters

Theory for polariton-assisted remote energy transfer

(2018) Matthew Du et al.   Chemical Science

Suppression of photo-oxidation of organic chromophores by strong coupling to plasmonic nanoantennas

(2018) Battulga Munkhbat et al.   Science Advances

Cavity-Correlated Electron-Nuclear Dynamics from First Principles

(2018) Johannes Flick et al.   PHYSICAL REVIEW LETTERS

Collective Jahn-Teller Interactions through Light-Matter Coupling in a Cavity

(2018) Oriol Vendrell   PHYSICAL REVIEW LETTERS

Manipulating azobenzene photoisomerization through strong light–molecule coupling

(2018) J. Fregoni et al.   Nature Communications

SALMON: Scalable Ab-initio Light–Matter simulator for Optics and Nanoscience

(2018) Masashi Noda et al.   COMPUTER PHYSICS COMMUNICATIONS

Multiscale Molecular Dynamics Simulations of Polaritonic Chemistry

(2017) Hoi Ling Luk et al.   Journal of Chemical Theory and Computation

Electrical pumping and tuning of exciton-polaritons in carbon nanotube microcavities

(2017) Arko Graf et al.   NATURE MATERIALS

Hybrid Light–Matter States in a Molecular and Material Science Perspective

(2016) Thomas W. Ebbesen   ACCOUNTS OF CHEMICAL RESEARCH

Ground-State Chemical Reactivity under Vibrational Coupling to the Vacuum Electromagnetic Field

(2016) Anoop Thomas et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Cavity Femtochemistry: Manipulating Nonadiabatic Dynamics at Avoided Crossings

(2016) Markus Kowalewski et al.   Journal of Physical Chemistry Letters

Single-molecule strong coupling at room temperature in plasmonic nanocavities

(2016) Rohit Chikkaraddy et al.   NATURE

Suppressing photochemical reactions with quantized light fields

(2016) Javier Galego et al.   Nature Communications

Conductivity in organic semiconductors hybridized with the vacuum field

(2015) E. Orgiu et al.   NATURE MATERIALS

Extraordinary Exciton Conductance Induced by Strong Coupling

(2015) Johannes Feist et al.   PHYSICAL REVIEW LETTERS

Polariton-mediated energy transfer between organic dyes in a strongly coupled optical microcavity

(2014) David M. Coles et al.   NATURE MATERIALS

Quantum-electrodynamical density-functional theory: Bridging quantum optics and electronic-structure theory

(2014) Michael Ruggenthaler et al.   PHYSICAL REVIEW A

Room Temperature Frenkel-Wannier-Mott Hybridization of Degenerate Excitons in a Strongly Coupled Microcavity

(2014) Michael Slootsky et al.   PHYSICAL REVIEW LETTERS

Communication: Dynamical embedding: Correct quantum response from coupling TDDFT for a small cluster with classical near-field electrodynamics for an extended region

(2013) Yi Gao et al.   JOURNAL OF CHEMICAL PHYSICS

Time-Dependent Density Functional Theory for Many-Electron Systems Interacting with Cavity Photons

(2013) I. V. Tokatly   PHYSICAL REVIEW LETTERS

Modifying Chemical Landscapes by Coupling to Vacuum Fields

(2012) James A. Hutchison et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

(2010) J Enkovaara et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Room-temperature polariton lasing in an organic single-crystal microcavity

(2010) S. Kéna-Cohen et al.   Nature Photonics

Polariton Laser Using Single MicropillarGaAs−GaAlAsSemiconductor Cavities

(2008) Daniele Bajoni et al.   PHYSICAL REVIEW LETTERS