Related papers: Nuclear-Electronic Quantum Dynamics in a Plasmonic…
Since the photon box gedanken experiments of several of the founding fathers of modern physics, considerable progress has been made in differentiating the quantum and classical worlds. In this pursuit, the cavity as an open quantum system…
Spontaneous emission of quantum emitters can be modified by engineering their optical environment. This allows a resonant nanoantenna to significantly modify the radiative properties of a quantum emitter. In this article, we go beyond the…
We formulate and analyze in detail the ground state quantum electrodynamical density functional theory (QEDFT) for a generalized Dicke model describing a collection of $N$ tight-binding dimers minimally coupled to a cavity photon mode. This…
The traditional approach to nuclear physics encodes phase shift information in a nucleon-nucleon (NN) potential, producing a nucleon-level interaction that captures the sub-GeV consequences of QCD. A further reduction to the nuclear scale…
We develop an effective field theory (EFT) for nuclear vibrations. The key ingredients - quadrupole degrees of freedom, rotational invariance, and a breakdown scale around the three-phonon level - are taken from data. The EFT is developed…
The observation that materials can change their properties when placed inside or near an optical resonator, has sparked a fervid interest in understanding the effects of strong light-matter coupling on molecular dynamics, and several…
We use quantum electrodynamics and the confinement-induced nonlocal dielectric response model based on the Keldysh-Rytova electron interaction potential to study the epsilon-near-zero modes of metallic films in the transdimensional regime.…
Due to their ability to strongly modify the local electromagnetic (EM) field through the excitation of surface plasmon polaritons (SPPs), plasmonic nanostructures have been often used to reshape the emission direction and enhance the…
In the present study, the nuclear quantum effects (NQEs) on proton diffusivity in oxides were evaluated by molecular dynamics (MD) simulations with the quantum thermal bath (QTB) based on the Langevin dynamics. We employed the proton…
Despite the variety of available computational approaches, state-of-the-art methods for calculating excitation energies such as time-dependent density functional theory (TDDFT), are computationally demanding and thus limited to moderate…
Harnessing strong light-matter interactions to control chemical reactions in confined electromagnetic fields offers a promising route toward deepening our understanding of chemical dynamics at the collective quantum-mechanical level, with…
Semiconductor quantum dots (QDs) in photonic nanocavities provide monolithic, robust platforms for both quantum information processing and cavity quantum electrodynamics (QED). An inherent feature of such solid-state cavity QED systems is…
We present a unified heterogeneous computing framework for real-time time-dependent density functional theory (RT-TDDFT) based on numerical atomic orbitals (NAOs), implemented in the ABACUS package. We introduce three co-designed…
Laser control of solids was so far mainly discussed in the context of strong classical nonlinear light-matter coupling in a pump-probe framework. Here we propose a quantum-electrodynamical setting to address the coupling of a…
In principle, we should not need the time-dependent extension of density-functional theory (TDDFT) for excitations, and in particular not for Molecular Dynamics (MD) studies: the theorem by Hohenberg and Kohn teaches us that for any…
Dynamical Phase transitions (DPTs) describe the abrupt change in the dynamical properties of open systems when a single control parameter is slightly modified. Recently we found that this phenomenon is also present in a simple model of a…
Quantum nuclear dynamics with wavepacket time-evolution is classically intractable and viewed as a promising avenue for quantum information processing. Here, we use an IonQ 11-qubit trapped-ion quantum computer, Harmony, to study the…
The large number of degrees of freedom involved in polaritonic chemistry processes considerably restricts the systems that can be described by any ab initio approach, due to the resulting high computational cost. Semiclassical methods that…
We study the real-time evolution of an electron influenced by intense electromagnetic fields using the time-dependent basis light-front quantization (tBLFQ) framework. We focus on demonstrating the non-perturbative feature of the tBLFQ…
Nuclear quantum effects (NQEs) are often central to a predictive understanding of chemical reactions and rates. While their incorporation in gas-phase reactions is well established, studies involving condensed matter often neglect or…