Ab initio polaritonic potential-energy surfaces for excited-state nanophotonics and polaritonic chemistry

Relevance of the quadratic diamagnetic and self-polarization terms in cavity quantum electrodynamics

(2020) Christian Schaefer et al.   ACS Photonics

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

Quantum electrodynamics at room temperature coupling a single vibrating molecule with a plasmonic nanocavity

(2019) Oluwafemi S. Ojambati et al.   Nature Communications

Tilting a ground-state reactivity landscape by vibrational strong coupling

(2019) A. Thomas et al.   SCIENCE

Nonadiabatic quantum dynamics without potential energy surfaces

(2019) Guillermo Albareda et al.   PHYSICAL REVIEW MATERIALS

Variational Theory of Nonrelativistic Quantum Electrodynamics

(2019) Nicholas Rivera et al.   PHYSICAL REVIEW LETTERS

Cavity Casimir-Polder Forces and Their Effects in Ground-State Chemical Reactivity

(2019) Javier Galego et al.   Physical Review X

Investigating New Reactivities Enabled by Polariton Photochemistry

(2019) Arkajit Mandal et al.   Journal of Physical Chemistry Letters

Exact Potential Energy Surface for Molecules in Cavities

(2019) Lionel Lacombe et al.   PHYSICAL REVIEW LETTERS

Resonant catalysis of thermally activated chemical reactions with vibrational polaritons

(2019) Jorge A. Campos-Gonzalez-Angulo et al.   Nature Communications

Light–Matter Response in Nonrelativistic Quantum Electrodynamics

(2019) Johannes Flick et al.   ACS Photonics

The PseudoDojo : Training and grading a 85 element optimized norm-conserving pseudopotential table

(2018) M.J. van Setten et al.   COMPUTER PHYSICS COMMUNICATIONS

Linear response time-dependent density functional theory without unoccupied states: The Kohn-Sham-Sternheimer scheme revisited

(2018) Fabian Hofmann et al.   JOURNAL OF CHEMICAL PHYSICS

Light–matter interaction in the long-wavelength limit: no ground-state without dipole self-energy

(2018) Vasil Rokaj et al.   JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS

Real-space and real-time observation of a plasmon-induced chemical reaction of a single molecule

(2018) Emiko Kazuma et al.   SCIENCE

Selective manipulation of electronically excited states through strong light–matter interactions

(2018) Kati Stranius et al.   Nature Communications

Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State

(2018) Johannes Flick et al.   ACS Photonics

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

(2018) Battulga Munkhbat et al.   Science Advances

From a quantum-electrodynamical light–matter description to novel spectroscopies

(2018) Michael Ruggenthaler et al.   Nature Reviews Chemistry

Shedding light on correlated electron–photon states using the exact factorization

(2018) Ali Abedi et al.   EUROPEAN PHYSICAL JOURNAL B

Light-matter interactions via the exact factorization approach

(2018) Norah M. Hoffmann et al.   EUROPEAN PHYSICAL JOURNAL B

Cavity-Correlated Electron-Nuclear Dynamics from First Principles

(2018) Johannes Flick et al.   PHYSICAL REVIEW LETTERS

Collective Strong Light-Matter Coupling in Hierarchical Microcavity-Plasmon-Exciton Systems

(2018) Ankit Bisht et al.   NANO LETTERS

Manipulating azobenzene photoisomerization through strong light–molecule coupling

(2018) J. Fregoni et al.   Nature Communications

Multiscale Molecular Dynamics Simulations of Polaritonic Chemistry

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

Cavity Born–Oppenheimer Approximation for Correlated Electron–Nuclear-Photon Systems

(2017) Johannes Flick et al.   Journal of Chemical Theory and Computation

Towards properties on demand in quantum materials

(2017) D. N. Basov et al.   NATURE MATERIALS

Strong Coupling between Surface Plasmon Polaritons and Molecular Vibrations

(2017) H. Memmi et al.   PHYSICAL REVIEW LETTERS

Quantum Corrections in Nanoplasmonics: Shape, Scale, and Material

(2017) Thomas Christensen et al.   PHYSICAL REVIEW LETTERS

Many-Molecule Reaction Triggered by a Single Photon in Polaritonic Chemistry

(2017) Javier Galego et al.   PHYSICAL REVIEW LETTERS

Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry

(2017) Johannes Flick et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Strong-coupling of WSe2 in ultra-compact plasmonic nanocavities at room temperature

(2017) Marie-Elena Kleemann et al.   Nature Communications

Can Ultrastrong Coupling Change Ground-State Chemical Reactions?

(2017) Luis A. Martínez-Martínez et al.   ACS Photonics

Polaritonic Chemistry with Organic Molecules

(2017) Johannes Feist et al.   ACS Photonics

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

(2016) Thomas W. Ebbesen   ACCOUNTS OF CHEMICAL RESEARCH

Novel photochemistry of molecular polaritons in optical cavities

(2016) Kochise Bennett et al.   FARADAY DISCUSSIONS

Non-adiabatic dynamics of molecules in optical cavities

(2016) Markus Kowalewski et al.   JOURNAL OF CHEMICAL PHYSICS

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

Multiple Rabi Splittings under Ultrastrong Vibrational Coupling

(2016) Jino George et al.   PHYSICAL REVIEW LETTERS

Cavity-Controlled Chemistry in Molecular Ensembles

(2016) Felipe Herrera et al.   PHYSICAL REVIEW LETTERS

Single-molecule optomechanics in “picocavities”

(2016) Felix Benz et al.   SCIENCE

Suppressing photochemical reactions with quantized light fields

(2016) Javier Galego et al.   Nature Communications

Novel photochemistry of molecular polaritons in optical cavities

(2016) Kochise Bennett et al.   FARADAY DISCUSSIONS

Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems

(2015) Xavier Andrade et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Optimized Effective Potential for Quantum Electrodynamical Time-Dependent Density Functional Theory

(2015) Camilla Pellegrini et al.   PHYSICAL REVIEW LETTERS

Kohn–Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space

(2015) Johannes Flick et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Cavity-Induced Modifications of Molecular Structure in the Strong-Coupling Regime

(2015) Javier Galego et al.   Physical Review X

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

(2014) Michael Ruggenthaler et al.   PHYSICAL REVIEW A

Strong coupling between chlorosomes of photosynthetic bacteria and a confined optical cavity mode

(2014) David M. Coles et al.   Nature Communications

Theoretical predictions for hot-carrier generation from surface plasmon decay

(2014) Ravishankar Sundararaman et al.   Nature Communications

Direct calculation of exciton binding energies with time-dependent density-functional theory

(2013) Zeng-hui Yang et al.   PHYSICAL REVIEW B

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

Progress in Time-Dependent Density-Functional Theory

(2012) M.E. Casida et al.   Annual Review of Physical Chemistry

Prediction of the Derivative Discontinuity in Density Functional Theory from an Electrostatic Description of the Exchange and Correlation Potential

(2011) Xavier Andrade et al.   PHYSICAL REVIEW LETTERS

Ab Initio Study of the VUV-Induced Multistate Photodynamics of Formaldehyde

(2010) S. Gómez-Carrasco et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Deep Strong Coupling Regime of the Jaynes-Cummings Model

(2010) J. Casanova et al.   PHYSICAL REVIEW LETTERS