Related papers: MQED-QD: An Open-Source Package for Quantum Dynami…
Quantum computing vendors are beginning to open up application programming interfaces for direct pulse-level quantum control. With this, programmers can begin to describe quantum kernels of execution via sequences of arbitrary pulse shapes.…
We present a new approach for the two-temperature molecular dynamics (MD) model for coupled simulations of electronic and phonon heat conduction in nanoscale systems. The proposed method uses a master equation to perform heat conduction of…
Collective excitations of many-body electron systems can carry internal structure, supporting novel quantum geometric and topological properties. Among these are a quantum geometric dipole (QGD), which for excitons have direct significance…
Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these…
We study a particular form of interaction Hamiltonian between qubits and quantum harmonic oscillators, whose closed system dynamics results in qubit controlled displacement operations. We show how this interaction is realizable in many…
State-of-the-art numerical simulations of quantum electrodynamical (QED) processes in strong laser fields rely on a semiclassical combination of classical equations of motion and QED rates, which are calculated in the locally constant field…
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…
Tkwant is a Python package for the simulation of quantum nanoelectronics devices to which external time-dependent perturbations are applied. Tkwant is an extension of the Kwant package (https://kwant-project.org/) and can handle the same…
The common model to describe exciton-plasmon interaction phenomenologically is the coupled oscillator model. Originally developed for atomic systems rather than solid-state matter, this model treats both excitons and plasmons as single…
Lattice Quantum Chromodynamics (Lattice QCD) is a quantum field theory on a finite discretized space-time box so as to numerically compute the dynamics of quarks and gluons to explore the nature of subatomic world. Solving the equation of…
We show that molecular spin qudits provide an ideal platform to simulate the quantum dynamics of photon fields strongly interacting with matter. The basic unit of the proposed molecular quantum simulator can be realized by a simple dimer of…
We present a data-driven reduced-order modeling of the space-charge dynamics for electromagnetic particle-in-cell (EMPIC) plasma simulations based on dynamic mode decomposition (DMD). The dynamics of the charged particles in kinetic plasma…
Basic problems of the semiclassical microscopic modelling of strongly interactingsystems are discussed within the framework of Quantum Molecular Dynamics (QMD). This model allows to study the influence of several types of nucleonic…
Quantum effects of plasmonic phenomena have been explored through ab-initio studies, but only for exceedingly small metallic nanostructures, leaving most experimentally relevant structures too large to handle. We propose instead an…
Non-adiabatic molecular dynamics (NAMD) simulations have become an indispensable tool for investigating excited-state dynamics in solids. In this work, we propose a general framework, N$^2$AMD which employs an E(3)-equivariant deep neural…
Manipulation of intrinsic electron degrees of freedom, such as charge and spin, gives rise to electronics and spintronics, respectively. Electrons in monolayer materials with a honeycomb lattice structure, such as the Transition-Metal…
Quantum-chemical subsystem and embedding methods require complex workflows that may involve multiple quantum-chemical program packages. Moreover, such workflows require the exchange of voluminous data that goes beyond simple quantities such…
Modeling electronic systems is an important application for quantum computers. In the context of materials science, an important open problem is the computational description of chemical reactions on surfaces. In this work, we outline a…
We propose and validate a framework for analog simulation of the Heisenberg spin model using a circuit quantum electrodynamics (circuit-QED) platform. Our method involves the Dyson-Maleev transformation, for which we develop a procedure to…
The optical response of an artificial hybrid molecule system composed of two metallic nanoparticles (MNPs) and a semiconductor quantum dot (SQD) is investigated theoretically due to the plasmon-exciton-plasmon coupling effects on the…