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Coarse-grained, mesoscale simulations are invaluable for studying soft condensed matter because of their ability to model systems in which a background solvent plays a significant role but is not the primary interest. Such methods generally…
Cavity quantum electrodynamics has attracted substantial interest, both due to its potential role in the field of quantum information processing and as a testbed for basic experiments in quantum mechanics. Here, we show how cavity quantum…
A quantum simulator is a purposeful quantum machine that can address complex quantum problems in a controllable setting and an efficient manner. This chapter introduces a solid-state quantum simulator platform based on exciton-polaritons,…
We report a new Quantum Mechanical/Molecular Dynamics (QM/MD) simulation loop to model the coupling between the electron and atom dynamics in solid/liquid interfacial systems. The method can describe simultaneously both the quantum…
We explore the potential for hybrid development of quantum hardware where currently available quantum computers simulate open Cavity Quantum Electrodynamical (CQED) systems for applications in optical quantum communication, simulation and…
Waveguide quantum electrodynamics (wQED) has become a central platform for studying collective light-matter interactions in low-dimensional photonic environments. While conventional wQED systems rely on uniform chirality or reciprocal…
The dynamics of pigment-pigment and pigment-protein interactions in light-harvesting complexes is studied with a novel approach which combines molecular dynamics (MD) simulations with quantum chemistry (QC) calculations. The MD simulations…
QmeQ is an open-source Python package for numerical modeling of transport through quantum dot devices with strong electron-electron interactions using various approximate master equation approaches. The package provides a framework for…
A proposal for a magnetic quantum processor that consists of individual molecular spins coupled to superconducting coplanar resonators and transmission lines is carefully examined. We derive a simple magnetic quantum electrodynamics…
Quantum computers (QC) could harbor the potential to significantly advance materials simulations, particularly at the atomistic scale involving strongly correlated fermionic systems where an accurate description of quantum many-body effects…
Optimally-shaped electromagnetic fields have the capacity to coherently control the dynamics of quantum systems and thus offer a promising means for controlling molecular transformations relevant to chemical, biological, and materials…
We investigate excitation dynamics in the system of a quantum dipole emitter (QDE) coupled to a located nearby metal nanoparticle (MNP), which exhibits a dipolar localized surface plasmon (LSP) resonance at the frequency of the QDE…
Understanding the physics of light emitter in quantum nanostructure regarding scalability, geometry, structure of the system and coupling between different degrees of freedom is important as one can improve the design and further provide…
pyGDM is a python toolkit for electro-dynamical simulations in nano-optics based on the Green Dyadic Method (GDM). In contrast to most other coupled-dipole codes, pyGDM uses a generalized propagator, which allows to cost-efficiently solve…
Quantum simulation represents the most promising quantum application to demonstrate quantum advantage on near-term noisy intermediate-scale quantum (NISQ) computers, yet available quantum simulation algorithms are prone to errors and thus…
By using the real-space method, switching of a single plasmon interacting with a hybrid nanosystem composed of a semiconductor quantum dot (SQD) and a metallic nanoparticle (MNP) coupled to one-dimensional surface plasmonic waveguide is…
Quantization in the inversion layer and phase coherent transport are anticipated to have significant impact on device performance in 'ballistic' nanoscale transistors. While the role of some quantum effects have been analyzed qualitatively…
Quantum dot (QD) solids are promising optoelectronic materials; further advancing their device functionality depends on understanding their energy transport mechanisms. The commonly invoked near-field F\"orster resonance energy transfer…
In the study of non-adiabatic chemical processes such as photocatalysis and photosynthesis, non-adiabatic molecular dynamics (NAMD) is an indispensable theoretical tool, which requires precise potential energy surfaces (PESs) of ground and…
The RMPCDMD software package performs hybrid Molecular Dynamics simulations, coupling Multiparticle Collision Dynamics to model the solvent and Molecular Dynamics to model suspended colloids, including hydrodynamics, thermal fluctuations,…