Related papers: Extending Non-Perturbative Simulation Techniques f…
We study the driven-dissipative Bose-Hubbard model with all-to-all hopping and subject to incoherent pumping and decay, as is naturally probed in several recent experiments on excitons in WS2/WSe2 moir\'e systems, as well as quantum…
Photocatalysis induced by sunlight is one of the most promising approach to environmental protection, solar energy conversion and sustainable production of fuels. The computational modeling of photocatalysis is a rapidly expending field…
Quantum adiabatic transfer is widely used in quantum computation and quantum simulation. However, the transfer speed is limited by the quantum adiabatic approximation condition, which hinders its application in quantum systems with a short…
We extend the concept of superadiabatic dynamics, or transitionless quantum driving, to quantum open systems whose evolution is governed by a master equation in the Lindblad form. We provide the general framework needed to determine the…
Adiabatic process has found many important applications in modern physics, the distinct merit of which is that it does not need accurate control over the timing of the process. However, it is a slow process, which limits the application in…
Efficient simulations of the dynamics of open systems is of wide importance for quantum science and tech-nology. Here, we introduce a generalization of the transfer-tensor, or discrete-time memory kernel, formalism to multi-time measurement…
The Q-cycle mechanism entering the electron and proton transport chain in oxygenic photosynthesis is an example of how biological processes can be efficiently investigated with elementary microscopic models. Here we address the problem of…
We present an efficient \textit{ab initio} algorithm for quantum dynamics simulations of interacting systems that is based on the conditional decomposition of the many-body wavefunction [Phys. Rev. Lett. 113, 083003 (2014)]. Starting with…
We present a theory that efficiently describes the quantum dynamics of an electronic excitation that is coupled to a continuous, highly structured phonon environment. Based on a stochastic approach to non-Markovian open quantum systems, we…
A universal scheme is introduced to speed up the dynamics of a driven open quantum system along a prescribed trajectory of interest. This framework generalizes counterdiabatic driving to open quantum processes. Shortcuts to adiabaticity…
Modeling many-body quantum systems with strong interactions is one of the core challenges of modern physics. A range of methods has been developed to approach this task, each with its own idiosyncrasies, approximations, and realm of…
The potential of mean-field decomposition techniques in interpreting electronic transitions in molecules is explored, particularly, the usefulness of these for offering computational signatures of different classes of such excitations. When…
A two-phase model, where the plasma expansion is an isothermal one when laser irradiates and a following adiabatic one after laser ends, has been proposed to predict the maximum energy of the proton beams induced in the ultra-intense…
Transition metal complexes for photochemical applications often feature a high density of electron-vibrational states characterized by nonadiabatic and spin-orbit couplings. Overall, the dynamics after photoexcitation is shaped by rapid…
Entanglement distribution between trapped-atom quantum memories, viz. single atoms in optical cavities, is addressed. In most scenarios, the rate of entanglement distribution depends on the efficiency with which the state of traveling…
Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable the determinations of the ground or low energy states of…
The adiabatic theorem, a corollary of the Schr\"odinger equation, manifests itself in a profoundly different way in non-Hermitian arrangements, resulting in counterintuitive state transfer schemes that have no counterpart in closed quantum…
We propose a novel method to describe realistically ionization processes with absorbing boundary conditions in basis expansion within the formalism of the so-called Non-Adiabatic Quantum Molecular Dynamics. This theory couples…
Energy transfer during molecular collisions on metal surfaces plays a pivotal role in a host of critical interfacial processes. Despite significant efforts, our understanding of relevant energy transfer mechanisms, even in an…
Modeling open quantum systems -- quantum systems coupled to a bath -- is of value in condensed matter theory, cavity quantum electrodynamics, nanosciences and biophysics. The real-time simulation of open quantum systems was advanced…