Intermolecular interactions in optical cavities: An ab initio QED study

Twisted bilayer graphene enters a new phase

(2020) Heather M. Hill   PHYSICS TODAY

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

(2020) Christian Schaefer et al.   ACS Photonics

Photochemistry with Quantum Optics from a Non-Adiabatic Quantum Trajectory Perspective

(2020) Felipe Herrera   Chem

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

eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods

(2020) Sarai D. Folkestad et al.   JOURNAL OF CHEMICAL PHYSICS

Negligible Effect of Vibrational Polaritons on Chemical Reaction Rates via the Density of States Pathway

(2020) Igor Vurgaftman et al.   Journal of Physical Chemistry Letters

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

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

Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States

(2020) Tor S. Haugland et al.   Physical Review X

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

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

Cavity-Mediated Electron-Photon Superconductivity

(2019) Frank Schlawin et al.   PHYSICAL REVIEW LETTERS

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

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

Multiflat Bands and Strong Correlations in Twisted Bilayer Boron Nitride: Doping-Induced Correlated Insulator and Superconductor

(2019) Lede Xian et al.   NANO LETTERS

Maximized electron interactions at the magic angle in twisted bilayer graphene

(2019) Alexander Kerelsky et al.   NATURE

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

(2019) Javier Galego et al.   Physical Review X

Tracking Polariton Relaxation with Multiscale Molecular Dynamics Simulations

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

Resonant catalysis of thermally activated chemical reactions with vibrational polaritons

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

Recent developments in symmetry‐adapted perturbation theory

(2019) Konrad Patkowski   Wiley Interdisciplinary Reviews-Computational Molecular Science

Unconventional superconductivity in magic-angle graphene superlattices

(2018) Yuan Cao et al.   NATURE

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

Cavity quantum-electrodynamical polaritonically enhanced electron-phonon coupling and its influence on superconductivity

(2018) M. A. Sentef et al.   Science Advances

Cavity-Enhanced Transport of Charge

(2017) David Hagenmüller et al.   PHYSICAL REVIEW LETTERS

Virtual photons in the ground state of a dissipative system

(2017) Simone De Liberato   Nature Communications

Coherent Coupling of a Single Molecule to a Scanning Fabry-Perot Microcavity

(2017) Daqing Wang et al.   Physical Review X

Observation of Mode Splitting in Photoluminescence of Individual Plasmonic Nanoparticles Strongly Coupled to Molecular Excitons

(2016) Martin Wersäll et al.   NANO LETTERS

Single-molecule strong coupling at room temperature in plasmonic nanocavities

(2016) Rohit Chikkaraddy et al.   NATURE

Cavity-Controlled Chemistry in Molecular Ensembles

(2016) Felipe Herrera et al.   PHYSICAL REVIEW LETTERS

Conductivity in organic semiconductors hybridized with the vacuum field

(2015) E. Orgiu et al.   NATURE MATERIALS

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

(2015) Camilla Pellegrini et al.   PHYSICAL REVIEW LETTERS

A Quantitative View of Charge Transfer in the Hydrogen Bond: The Water Dimer Case

(2014) Enrico Ronca et al.   CHEMPHYSCHEM

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

(2014) Michael Ruggenthaler et al.   PHYSICAL REVIEW A

Revealing Charge-Transfer Effects in Gas-Phase Water Chemistry

(2012) David Cappelletti et al.   ACCOUNTS OF CHEMICAL RESEARCH

Modifying Chemical Landscapes by Coupling to Vacuum Fields

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

Definition of the hydrogen bond (IUPAC Recommendations 2011)

(2011) Elangannan Arunan et al.   PURE AND APPLIED CHEMISTRY

Density functional theory with London dispersion corrections

(2011) Stefan Grimme   Wiley Interdisciplinary Reviews-Computational Molecular Science

A Direct Comparison of Reactivity and Mechanism in the Gas Phase and in Solution

(2010) John M. Garver et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Benzene−Water (BZWn(n= 1 − 10)) Clusters

(2009) M. Prakash et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Orbital-dependent density functionals: Theory and applications

(2008) Stephan Kümmel et al.   REVIEWS OF MODERN PHYSICS

The Chemical Bond between Au(I) and the Noble Gases. Comparative Study of NgAuF and NgAu+(Ng = Ar, Kr, Xe) by Density Functional and Coupled Cluster Methods

(2007) Leonardo Belpassi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY