Related papers: WavePacket: A Matlab package for numerical quantum…
We introduce a numerical method to simulate nonlinear open quantum dynamics of a particle in situations where its state undergoes significant expansion in phase space while generating small quantum features at the phase-space Planck scale.…
Non-Markovian open quantum systems represent the most general dynamics when the quantum system is coupled with a bath environment. The quantum dynamics arising from many important applications are non-Markovian. Although for special cases,…
Quantum states can be described equivalently by density matrices, Wigner functions or quantum tomograms. We analyze the accuracy and performance of three related semiclassical approaches to quantum dynamics, in particular with respect to…
The choice of mathematical representation when describing physical systems is of great consequence, and this choice is usually determined by the properties of the problem at hand. Here we examine the little-known wave operator…
Wave packets provide a well established and versatile tool for studying time-dependent effects in molecular physics. Here, we demonstrate the application of wave packets to mesoscopic nanodevices at low temperatures. The electronic…
We develop a package of numerical simulations implemented in MATLAB to solve complex many-body quantum systems. We focus on widely used examples that include the calculation of the magnetization dynamics for the closed and open Ising model,…
QwaveMPS is an open-source Python library for simulating one-dimensional quantum many-body waveguide systems using matrix product states (MPS). It provides a user-friendly interface for constructing, evolving, and analyzing quantum states…
Probing energy-dependent transport in quantum simulators requires preparing states with tunable energy and small energy variance. Existing approaches often study quench dynamics of simple initial states, such as computational basis states,…
Density Matrix Exponentiation is a technique for simulating Hamiltonian dynamics when the Hamiltonian to be simulated is available as a quantum state. In this paper, we present a natural analogue to this technique, for simulating Markovian…
The simulation of many-body open quantum systems is key to solving numerous outstanding problems in physics, chemistry, material science, and in the development of quantum technologies. Near-term quantum computers may bring considerable…
Recent advances in laser technology have enabled tremendous progress in photochemistry, at the heart of which is the breaking and formation of chemical bonds. Such progress has been greatly facilitated by the development of accurate…
The theoretical investigation of non-adiabatic processes is hampered by the complexity of the coupled electron-nuclear dynamics beyond the Born-Oppenheimer approximation. Classically, the simulation of such reactions is limited by the…
Simulations of quantum chemistry and quantum materials are believed to be among the most important potential applications of quantum information processors, but realizing practical quantum advantage for such problems is challenging. Here,…
We explore how the fundamental problems in quantum molecular dynamics can be modelled using classical simulators (emulators) of quantum computers and the actual quantum hardware available to us today. The list of problems we tackle includes…
A number of recent studies have proposed that linear representations are appropriate for solving nonlinear dynamical systems with quantum computers, which fundamentally act linearly on a wave function in a Hilbert space. Linear…
This MATLAB program calculates the dynamics of the reduced density matrix of an open quantum system modeled by the Feynman-Vernon model. The user gives the program a vector describing the coordinate of an open quantum system, a hamiltonian…
Numerical modeling of radio-frequency waves in plasma with sufficiently high spatial and temporal resolution remains challenging even with modern computers. However, such simulations can be sped up using quantum computers in the future.…
Direct dynamics methods using Gaussian wavepackets have to rely only on local properties, such as gradients and hessians at the center of the wavepacket, so as to be compatible with the usual quantum chemistry methods. Matrix elements of…
We introduce a quantum algorithm for simulating the time-dependent Dirac equation in 3+1 dimensions using discrete-time quantum walks. Thus far, promising quantum algorithms have been proposed to simulate quantum dynamics in…
Molecular dynamics is widely used to study various phenomena, such as diffusion, shock wave propagation, and plasma dynamics. A wide range of software packages supports the expanding scope of molecular dynamics applications. However, the…