Related papers: An improved Green's function algorithm applied to …
This paper establishes new connections between many-body quantum systems, One-body Reduced Density Matrices Functional Theory (1RDMFT) and Optimal Transport (OT), by interpreting the problem of computing the ground-state energy of a finite…
Monte Carlo statistical ray-tracing methods are commonly employed to simulate carrier transport in nanostructured materials. In the case of a large degree of nanostructuring and under linear response (small driving fields), these…
We propose a causality-based divide-and-conquer algorithm for nonequilibrium Green's function calculations with quantics tensor trains. This algorithm enables stable and efficient extensions of the simulated time domain by exploiting the…
We introduce a quantum decomposition algorithm (QDA) that decomposes the problem $\frac{\partial \rho}{\partial t}=\mathcal{L}\rho=\lambda \rho$ into a summation of eigenvalues times phase-space variables. One interesting feature of QDA…
We formulate a global-position colored-permutation encoding for the capacitated vehicle routing problem. Each of the $K$ vehicles selects a disjoint partial permutation, and the sum of these $K$ color layers forms a full $n\times n$…
We present a novel quantum optimization-based route compression technique that significantly reduces storage requirements compared to conventional methods. Route optimization systems face critical challenges in efficiently storing selected…
Applications of the H\"uckel (tight binding) model are ubiquitous in quantum chemistry and solid state physics. The matrix representation of this model is isomorphic to an unoriented vertex adjacency matrix of a bipartite graph, which is…
Green's function provides an inherent connection between theoretical analysis and numerical methods for elliptic partial differential equations, and general absence of its closed-form expression necessitates surrogate modeling to guide the…
Time-dependent quantum transport for graphene nanoribbons (GNR) are calculated by the hierarchical equation of motion (HEOM) method based on the nonequilibrium Green's function (NEGF) theory (Xie et.al, J. Chem. Phys. 137, 044113, 2012). In…
Quantum state tomography is a key technique for quantum information processing, but is challenging due to the exponential growth of its complexity with the system size. In this work, we propose an algorithm which iteratively finds the best…
In the numerical analysis of strongly correlated quantum lattice models one of the leading algorithms developed to balance the size of the effective Hilbert space and the accuracy of the simulation is the density matrix renormalization…
We present a novel tensor network algorithm to solve the time-dependent, gray thermal radiation transport equation. The method invokes a tensor train (TT) decomposition for the specific intensity. The efficiency of this approach is dictated…
We explicitly calculate the Green functions describing quantum changes of topology in Friedman-Lemaitre-Robertson-Walker Universes whose spacelike sections are compact but endowed with distinct topologies. The calculations are performed…
Computation of the Green's function is crucial to study the properties of quantum many-body systems such as strongly correlated systems. Although the high-precision calculation of the Green's function is a notoriously challenging task on…
The LSDA+U approach to density functional theory is carefully reanalyzed. Its possible link to single-particle Green's function theory is occasionally discussed. A simple and elegant derivation of the important sum rules for the on-site…
Quantum dots are versatile systems for exploring quantum transport, electron correlations, and many-body phenomena such as the Kondo effect. While equilibrium properties are well understood through methods like the numerical renormalization…
Here we review the many aspects and distinct phenomena associated to quantum dynamics on general graph structures. For so, we discuss such class of systems under the energy domain Green's function ($G$) framework. This approach is…
Utilization of electron transfer methods for description of quantum transport is popular due to simplicity of the formulation and its ability to account for basic physics of electron exchange between system and baths. At the same time,…
The classical and quantum simulation of lattice gauge theories (LGTs) with Lie groups is hindered by the infinite-dimensional Hilbert space of gauge degrees of freedom. In a recent work [Phys. Rev. X 15, 031065 (2025)], we introduced a new…
The density matrix renormalization group (DMRG) algorithm was originally designed to efficiently compute the zero temperature or ground-state properties of one dimensional strongly correlated quantum systems. The development of the…