Related papers: Nuclear-Electronic Quantum Dynamics in a Plasmonic…
Hybrid nanocomposites can offer a wide range of opportunities to control the light-matter interac- tion and electromagnetic energy flow at the nanoscale, leading to exotic optoelectronic devices. We study theoretically the dipole-dipole…
Nuclear matter is studied within the Density Functional Theory (DFT) framework. Our method employs a finite number of nucleons in a box subject to periodic boundary conditions, in order to simulate infinite matter and study its response to…
We study the optical properties of small gold chains doped with different transition metal (TM) atoms (Ni,Rh,Fe) by using the time-dependent density-functional theory (TDDFT) approach. The optical absorption spectrum of such systems…
Ultrafast real-time dynamics are critical for understanding a broad range of physical processes. Real-time time-dependent density functional theory (rt-TDDFT) has emerged as a powerful computational tool for simulating these dynamics,…
We investigate the chemical reactivity of molecular populations confined inside a nanofluidic Fabry-P{\'e}rot cavity. Due to strong light-matter interactions developing between a resonant electromagnetic cavity-mode and the electric dipole…
Routine investigations of plasmonic phenomena at the quantum level present a formidable computational challenge due to the large system sizes and ultrafast timescales involved. This Feature Article highlights the use of density functional…
We predict plasmonic mediated nucleation of pancake shaped resonant nano-cavities in metallic layers that are penetrable to laser fields. The underlying physics is that the cavity provides a narrow plasmonic resonance that maximizes its…
We develop a novel approach to ultrafast optical modulation of quantum-mechanical phenomena at the interface of plasmonic metals. Focusing on efficient and versatile nanoparticle-on-mirror plasmonic nanocavities, we discuss indirect control…
The driving of vibrational motion by external electric fields is a topic of continued interest, due to the possibility of assessing new or metastable material phases with desirable properties. Here, we combine ab initio molecular dynamics…
Recent studies have established and rigorously validated a modified Langevin noise formalism that enables first-principles quantization of electromagnetic fields in open and dissipative environments [1,2,3]. Building on this foundation, a…
Molecular aggregates on plasmonic nanoparticles have emerged as attractive systems for the studies of cavity quantum electrodynamics. They are highly tunable, scalable, easy to synthesize and offer sub-wavelength confinement, all while…
In the last 10 years, we have observed an important increase of interest in the application of time-dependent energy density functional theory (TD-EDF). This approach allows to treat nuclear structure and nuclear reaction from small to…
Recent experiments showed that the chemical reaction rate is modified, either increased or decreased, by strongly coupling a nuclear vibration mode to the single mode of an optical cavity. Herein we investigate how the rate of an…
We investigate the conditions yielding plasmon-exciton strong coupling at the single emitter level in the gap between two metal nanoparticles. A quasi-analytical transformation optics approach is developed that makes possible a thorough…
Plasmonic cavities can be used to control the atom-photon coupling process at the nanoscale, since they provide ultrahigh density of optical states in an exceptionally small mode volume. Here we demonstrate strong coupling between molecular…
Understanding the electron dynamics and transport in metallic and semiconductor nanostructures -- such as metallic nanoparticles, thin films, quantum wells and quantum dots -- represents a considerable challenge for today's condensed matter…
The generation of quantum entanglement is important for a wide range of quantum technology protocols. In nanophotonics, a promising platform for quantum technologies, entanglement generation via plasmon-mediated coupling in quantum dot…
We study dynamics of the atom-photon interaction in cavity quantum electrodynamics (QED), considering a cold two-level atom in a single-mode high-finesse standing-wave cavity as a nonlinear Hamiltonian system with three coupled degrees of…
We generalize the optimized effective potential (OEP) formalism in the quantum electrodynamical density functional theory (QEDFT) to the case of continuous distribution of photon modes, and study its applicability to dissipative dynamics of…
Using first-principles molecular dynamics, we study the influence of nuclear quantum effects (NQEs) and nonlocal exchange--correlation density functionals (DFs) near molecular dissociation in liquid hydrogen. NQEs strongly influence…