Related papers: Numerical Classical and Quantum Mechanical simulat…
We study classical simulation of quantum computation, taking the Gottesman-Knill theorem as a starting point. We show how each Clifford circuit can be reduced to an equivalent, manifestly simulatable circuit (normal form). This provides a…
We model coherent exciton transport in dendrimers by continuous-time quantum walks (CTQWs). For dendrimers up to the second generation the coherent transport shows perfect recurrences, when the initial excitation starts at the central node.…
We present explicit kinetic equations for quantum transport through a general molecular quantum-dot, accounting for all contributions up to 4th order perturbation theory in the tunneling Hamiltonian and the complete molecular density…
Quantum simulation of materials is a promising application area of quantum computers. To practically realize this promise, we must reduce quantum resources while maintaining accuracy. In electronic structure calculations on classical…
Developing quantum algorithms to simulate fluid dynamics has become an active area of research, as accelerating fluid simulations could have significant impact in both industry and fundamental science. While many approaches have been…
We present a molecular dynamics simulation of shock waves propagating in dense deuterium with the electron force field method [J. T. Su and W. A. Goddard, Phys. Rev. Lett. 99, 185003 (2007)], which explicitly takes the excitation of…
Transport properties of concentrated electrolytes have been analyzed using classical molecular dynamics simulations with the algorithms and parameters typical of simulations describing complex electrokinetic phenomena. The electrical…
The phenomenon of electron tunneling has long been central to quantum transport and continues to provide a powerful framework for understanding and controlling electronic processes in solids. When combined with optical excitation, tunneling…
Upon revisiting the Hamiltonian structure of classical wavefunctions in Koopman-von Neumann theory, this paper addresses the long-standing problem of formulating a dynamical theory of classical-quantum coupling. The proposed model not only…
Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally efficient…
A quantum computer, i.e. utilizing the resources of quantum physics, superposition of states and entanglement, could furnish an exponential gain in computing time. A simulation using such resources is called a quantum simulation. The…
Quantum computing has attracted considerable attention in recent years because it promises speed-ups that conventional supercomputers cannot offer, at least for some applications. Though existing quantum computers are, in most cases, still…
The single excitation subspace (SES) method for universal quantum simulation is investigated for a number of diatomic molecular collision complexes. Assuming a system of $n$ tunably-coupled, and fully-connected superconducting qubits,…
We present an efficient classical algorithm based on the construction of a unitary quantum circuit for simulating the Isotropic Wave Equation (IWE) in one, two, or three dimensions. Using an analogy with the massless Dirac equation, second…
Quantum walk (QW) provides a versatile tool to study fundamental physics and also to make a variety of practical applications. We here start with the recent idea of {\it nonlinear} QW and show that introducing {\it nonlinearity} to QW can…
This note discusses a method for computing the energy spectra of quantum field theory utilizing digital quantum simulation. A quantum algorithm, called coherent imaging spectroscopy, quenches the vacuum with a time-oscillating perturbation…
Low-dimensional electron systems, as realized naturally in graphene or created artificially at the interfaces of heterostructures, exhibit a variety of fascinating quantum phenomena with great prospects for future applications. Once…
We propose a unified diffusion-mobility relation which quantifies both quantum and classical levels of understanding on electron dynamics in ordered and disordered materials. This attempt overcomes the inability of classical Einstein…
Charge density wave (CDW) is a collective quantum phenomenon with a charge modulation in solids1-2. Condensation of electron and hole pairs with finite momentum will lead to such an ordered state3-7. However, lattice symmetry breaking…
We present a model of electron transport through a random distribution of interacting quantum dots embedded in a dielectric matrix to simulate realistic devices. The method underlying the model depends only on fundamental parameters of the…