Related papers: MQED-QD: An Open-Source Package for Quantum Dynami…
Machine learning has emerged as a promising paradigm to study the quantum dissipative dynamics of open quantum systems. To facilitate the use of our recently published ML-based approaches for quantum dissipative dynamics, here we present an…
Quantum computers promise to solve several categories of problems faster than classical computers ever could. Current research mostly focuses on qubits, i.e., systems where the unit of information can assume only two levels. However, the…
Cavity quantum electrodynamics (QED) with in-situ tunable interactions is important for developing novel systems for quantum simulation and computing. The ability to tune the dispersive shifts of a cavity QED system provides more…
Understanding the interaction between cavity photons and electronic nanocircuits is crucial for the development of Mesoscopic Quantum Electrodynamics (QED). One has to combine ingredients from atomic Cavity QED, like orbital degrees of…
Accurate and efficient methods to simulate nonadiabatic and quantum nuclear effects in high-dimensional and dissipative systems are crucial for the prediction of chemical dynamics in condensed phase. To facilitate effective development,…
Simulating charge and energy transfer in extended molecular networks requires an effective model to include the environment because it significantly affects the quantum dynamics. A prototypical effect known as Environment-Assisted Quantum…
The description of carrier dynamics in spatially confined semiconductor nanocrystals (NCs), which have enhanced electron-hole and exciton-phonon interactions, is a great challenge for modern computational science. These NCs typically…
The complexity of biological systems and processes, spanning molecular to macroscopic scales, necessitates the use of multiscale simulations to get a comprehensive understanding. Quantum mechanics/molecular mechanics (QM/MM) molecular…
Preparing and observing quantum states of nanoscale particles is a challenging task with great relevance for quantum technologies and tests of fundamental physics. In contrast to atomic systems with discrete transitions, nanoparticles…
Long-lived exciton coherences have been recently observed in photosynthetic complexes via ultrafast spectroscopy, opening exciting possibilities for the study and design of coherent exciton transport. Yet, ambiguity in the spectroscopic…
Coupling excitons with quantized radiation has been shown to enable coherent ballistic transport at room temperature inside optical cavities. Previous theoretical works employ a simple description of the material, depicting it as a…
Strong-field quantum electrodynamics (SF-QED) plays a crucial role in ultraintense laser matter interactions, and demands sophisticated techniques to understand the related physics with new degrees of freedom, including spin angular…
Gateable semiconductor quantum dots (QDs) provide a versatile platform for analog quantum simulations of electronic many-body systems. In particular, QD arrays offer a natural representation of the interacting $\pi$-electron system of small…
We have constructed a complete quantum theory for an optical process of excitons with nonlocal susceptibility originating from their center-of-mass motion. This theory provides a practical calculation method for arbitrary-structured…
In this article, we review the principles of macroscopic quantum electrodynamics and discuss a variety of applications of this theory to medium-assisted atom-field coupling and dispersion forces. The theory generalises the standard mode…
DL_POLY Quantum 2.1 is introduced here as a highly modular, sustainable, and scalable general-purpose molecular dynamics (MD) simulation software for large-scale long-time MD simulations of condensed phase and interfacial systems with the…
We introduce a data-informed quantum-classical dynamics (DIQCD) approach for predicting the evolution of an open quantum system. The equation of motion in DIQCD is a Lindblad equation with a flexible, time-dependent Hamiltonian that can be…
A major challenge in light-matter simulations is bridging the disparate time and length scales of electrodynamics and molecular dynamics. Current computational approaches often rely on heuristic approximations of either the electromagnetic…
A quantum kinetic formalism is developed to study the dynamical interplay of quantum and statistical-kinetic properties of non-equilibrium multi-parton systems produced in high-energy QCD processes. The approach provides the means to follow…
Spectrally and spatially varying ensembles of emitters embedded into waveguides are ever-present in both well-established and emerging technologies. If control of collective excitations can be attained, a plethora of coherent quantum…