相关论文: Matrix Product Approach to Conjugated Polymers

We study the magnetic energy of magnetic polymer composite materials as the average distance between magnetic particles vanishes. We model the position of these particles in the polymeric matrix as a stochastic lattice scaled by a small…

We obtain through a Matrix Product Ansatz (MPA) the exact solution of the most general $N$-state spin chain with $U(1)^N$ symmetry and nearest neighbour interaction. In the case N=6 this model contain as a special case the integrable SO(6)…

We investigate the density matrix renormalization group (DMRG) discovered by White and show that in the case where the renormalization eventually converges to a fixed point the DMRG ground state can be simply written as a ``matrix product''…

The Linear Parameter Varying Dynamical System (LPV-DS) is an effective approach that learns stable, time-invariant motion policies using statistical modeling and semi-definite optimization to encode complex motions for reactive robot…

The Material Point Method (MPM) is a hybrid Eulerian Lagrangian simulation technique for solid mechanics with significant deformation. Structured background grids are commonly employed in the standard MPM, but they may give rise to several…

We present the Mixed Likelihood Gaussian process latent variable model (GP-LVM), capable of modeling data with attributes of different types. The standard formulation of GP-LVM assumes that each observation is drawn from a Gaussian…

Distortions in a family of conjugated polymers are studied within two complementary approaches, i.e. within a many-body Valence Bond (VB) approach using a transfer matrix technique to treat the Heisenberg model of the systems, and also in…

We show that, in certain circumstances, exact excitation energies appear as locally site-independent (or flat) modes if one records the excitation spectrum of the effective Hamiltonian while sweeping through the lattice in the variational…

An efficient and stable algorithm for U(1) symmetric matrix product states (MPS) with periodic boundary conditions (PBC) is proposed. It is applied to a study of correlation and entanglement properties of the eigenstates of the spin-1/2 XXZ…

This article reviews recent developments in the theoretical understanding and the numerical implementation of variational renormalization group methods using matrix product states and projected entangled pair states.

The multiple scattering method T-matrix (MSTMM) can be used to solve the electromagnetic response of systems consisting of many compact scatterers, retaining a good level of accuracy while using relatively few degrees of freedom, largely…

We present an effective and simple multiscale method for equilibrating Kremer Grest model polymer melts of varying stiffness. In our approach, we progressively equilibrate the melt structure above the tube scale, inside the tube and finally…

We present a novel classical algorithm designed to learn the stabilizer group -- namely the group of Pauli strings for which a state is a $\pm 1$ eigenvector -- of a given Matrix Product State (MPS). The algorithm is based on a clever and…

Matched molecular pairs (MMPs) capture the local chemical edits that medicinal chemists routinely use to design analogs, but existing ML approaches either operate at the whole-molecule level with limited edit controllability or learn…

I study the Sine-Gordon (SG) and Sinh-Gordon (ShG) quantum field theories with a recently introduced variational method, the relativistic continuous matrix product states (RCMPS). The main advantage is to work directly in the thermodynamic…

We have developed a new approach based on matrix product representations of ground states to study Quantum Phase Transitions (QPT). As confirmation of the power of our approach we have analytically analyzed the XXZ spin-one chain with…

In this paper, we address the role of electron-electron interactions on the velocities of spin and charge transport in one-dimensional systems typified by conjugated polymers. We employ the Hubbard model to model electron-electron…

A natural Bayesian approach for mixture models with an unknown number of components is to take the usual finite mixture model with Dirichlet weights, and put a prior on the number of components---that is, to use a mixture of finite mixtures…

Products and sums of random matrices have seen a rapid development in the past decade due to various analytical techniques available. Two of these are the harmonic analysis approach and the concept of polynomial ensembles. Very recently, it…

The coupled cluster method (CCM) has previously been applied to study the ground- and excited-state properties of many different types of frustrated and unfrustrated quantum spin systems. A common feature in the application of the CCM is to…