Related papers: Efficient iPEPS Simulation on the Honeycomb Lattic…
The constant potential molecular dynamics simulation method proposed by Siepmann and Sprik and reformulated later by Reed (SR-CPM) has been widely employed to investigate the metallic electrolyte/electrode interfaces, especially for…
We present an improved version of the algorithm contracting and optimizing finite projected entangled pair states (fPEPS) in conjunction with projected entangled pair operators (PEPOs). Our work has two components to it. First, we explain…
The efficient and accurate QR decomposition for matrices with hierarchical low-rank structures, such as HODLR and hierarchical matrices, has been challenging. Existing structure-exploiting algorithms are prone to numerical instability as…
We present the theory of a density matrix renormalization group (DMRG) algorithm which can solve for both the ground and excited states of non-Hermitian transcorrelated Hamiltonians, and show applications in \emph{ab initio} molecular…
Quantum phase transitions driven by electronic correlations are central to understanding the physics of graphene and related two-dimensional materials. A paradigmatic example is the semimetal-to-Mott-insulator transition on the honeycomb…
We propose an entanglement-based algorithm of the tensor-network strong-disorder renormalization group (tSDRG) method for quantum spin systems with quenched randomness. In contrast to the previous tSDRG algorithm based on the energy…
The tensor-network renormalization group (TNRG) is an accurate numerical real-space renormalization group method for studying phase transitions in both quantum and classical systems. Continuous phase transitions, as an important class of…
A density-matrix renormalization group (DMRG) method for highly anisotropic two-dimensional systems is presented. The method consists in applying the usual DMRG in two steps. In the first step, a pure one dimensional calculation along the…
Within the confined phase of (2+1)D lattice gauge theories a roughening transition arises between a weakly confined regime with floppy string excitations and a strongly confined regime with stiff string excitations. In this work, we use an…
We develop a density-matrix renormalization group (DMRG) algorithm for the simulation of quantum circuits. This algorithm can be seen as the extension of time-dependent DMRG from the usual situation of hermitian Hamiltonian matrices to…
We study a constrained statistical-mechanical model in two dimensions that has three useful descriptions. They are 1) the Ising model on the honeycomb lattice, constrained to have three up spins and three down spins on every hexagon, 2) the…
Using large-scale quantum Monte Carlo simulations, we determine the ground state phase diagram of the spin-1/2 antiferromagnetic Heisenberg model on the honeycomb lattice for the most generic case of three varying interaction strengths…
We construct a class of projected entangled pair states (PEPS) which is exactly the resonating valence bond (RVB) wavefunctions endowed with both short range and long range valence bonds. With an energetically preferred RVB pattern, the…
In this thesis, we present a novel method combining energy-based finite-size scaling with tensor network renormalization (TNR) to study phase transitions in lattice models. This approach effectively calculates running coupling constants and…
In this paper we propose a special type of a tree tensor network that has the geometry of a comb---a 1D backbone with finite 1D teeth projecting out from it. This tensor network is designed to provide an effective description of higher…
The recent progress in the optimization of two-dimensional tensor networks [H.-J. Liao, J.-G. Liu, L. Wang, and T. Xiang, Phys. Rev. X ${\bf 9}$, 031041 (2019)] based on automatic differentiation opened the way towards precise and fast…
We present a detailed investigation of the XXZ Heisenberg model for spin-$1/2$ and spin-$1$ systems on square and honeycomb lattices. Utilizing the density-matrix renormalization group (DMRG) method, complemented by Spiral Boundary…
We combine the Density Matrix Renormalization Group (DMRG) with Matrix Product State tangent space concepts to construct a variational algorithm for finding ground states of one dimensional quantum lattices in the thermodynamic limit. A…
Towards the efficient simulation of near-term quantum devices using tensor network states, we introduce an improved real-space parallelizable matrix-product state (MPS) compression method. This method enables efficient compression of all…
We show how to use polar molecules in an optical lattice to engineer quantum spin models with arbitrary spin S >= 1/2 and with interactions featuring a direction-dependent spin anisotropy. This is achieved by encoding the effective spin…