相关论文: Optimal block-tridiagonalization of matrices for c…
Quantum transport plays a central role in both fundamental physics and the development of quantum technologies. While significant progress has been made in understanding transport phenomena in quantum systems, methods for optimizing…
We present a novel open-source Python framework called NanoNET (Nanoscale Non-equilibrium Electron Transport) for modelling electronic structure and transport. Our method is based on the tight-binding method and non-equilibrium Green's…
The quantum transport formalism based on tight-binding models is known to be powerful in dealing with a wide range of open physical systems subject to external driving forces but is, at the same time, limited by the memory requirement's…
Potential and mass barriers in graphene introduce electron scattering, modulating transmission probabilities. Complex multi-barrier setups allow electron transmission to be controlled with high precision, but have a huge design space of…
We derive a method to efficiently compute the Green function of on arbitrary Hamiltonians defined on semi-infinite and periodic quasi-one-dimensional lattices. Computing the Green function is the backbone of quantum transport, electronic…
In this work, we construct a novel numerical method for solving the multi-marginal optimal transport problems with Coulomb cost. This type of optimal transport problems arises in quantum physics and plays an important role in understanding…
The Non-Equilibrium Green's Function (NEGF) method combined with ab initio calculations has been widely used to study charge transport in molecular junctions. However, the significant computational demands of high-resolution calculations…
We introduce an architecture for variational quantum algorithms that can be efficiently trained via parameter updates along exact geodesics on the Riemannian state manifold. This features a parameter-optimal circuit ansatz which supersedes…
Simulations of quantum transport in coherent conductors have evolved into mature techniques that are used in fields of physics ranging from electrical engineering to quantum nanoelectronics and material science. The most efficient…
We present an efficient numerical approach for treating ballistic quantum transport across devices described by tight binding (TB) Hamiltonians designated to systems with localized potential defects. The method is based on the wave function…
We derive explicit closed-form matrix representations of Hamiltonians drawn from tensored algebras, such as quantum spin Hamiltonians. These formulas enable us to soft-code generic Hamiltonian systems and to systematize the input data for…
In a recent paper, a new method was proposed to find the common invariant subspaces of a set of matrices. This paper invstigates the more general problem of putting a set of matrices into block triangular or block-diagonal form…
The construction of quantum circuits to simulate Hamiltonian evolution is central to many quantum algorithms. State-of-the-art circuits are based on oracles whose implementation is often omitted, and the complexity of the algorithm is…
The Green's function method is recognized to be a very powerful tool for modelling quantum transport in nanoscale electronic devices. As atomistic calculations are generally expensive, numerical methods and related algorithms have been…
Transport phenomena play a key role in a variety of application domains, and efficient simulation of these dynamics remains an outstanding challenge. While quantum computers offer potential for significant speedups, existing algorithms…
We introduce a performance-optimized method to simulate localization problems on bipartite tight-binding lattices. It combines an exact renormalization group step to reduce the sparseness of the original problem with the recursive Green's…
Solving eigenproblem of the Laplacian matrix of a fully connected weighted graph has wide applications in data science, machine learning, and image processing, etc. However, this is very challenging because it involves expensive matrix…
We present a block gradient ascent method for solving the quantum optimal transport problem with entropic regularisation similar to the algorithm proposed in [D. Feliciangeli, A. Gerolin, L. Portinale: J. Funct. Anal. 285 (2023), no. 4,…
A first principle theory of charge transport in spatially inhomogeneous quantum systems composed of any finite number of particles and subject to weak electro-magnetic fields is developed. Simple analytical expressions for the linear…
The decomposition method which makes the parallel solution of the block-tridiagonal matrix systems possible is presented. The performance of the method is analytically estimated based on the number of elementary multiplicative operations…