相关论文: Ultrafast ab-initio Quantum Chemistry Using Matrix…

A systematic and compact treatment of arbitrary $su(2)$ invariant spin-$s$ quantum chains with nearest-neighbour interactions is presented. The ground-state is derived in terms of matrix product states (MPS). The fundamental MPS…

We distinguish a mechanical representation of the world in terms of point masses with positions and momenta and the chemical representation of the world in terms of populations of different individuals, each with intrinsic stochasticity,…

The first-order phase transitions and related thermodynamics properties are primary concerns of materials sciences and engineering. In traditional atomistic simulations, the phase transitions and the estimation of their thermodynamic…

Tensor networks, which are originally developed for characterizing complex quantum many-body systems, have recently emerged as a powerful framework for capturing high-dimensional probability distributions with strong physical…

Under certain conditions, the dynamics of coarse-grained models of solvated proteins can be described using a Markov state model, which tracks the evolution of populations of configurations. The transition rates among states that appear in…

Motility-induced phase separation (MIPS) is a well-studied nonequilibrium collective phenomenon observed in active particles. Recently, there has been growing interest in how coupling the self-propulsion of active particles to chemical…

Collectives of actively-moving particles can spontaneously separate into dilute and dense phases -- a fascinating phenomenon known as motility-induced phase separation (MIPS). MIPS is well-studied for randomly-moving particles with no…

As a method beyond the mean-field analysis, a matrix product state (MPS) with incommensurate periodicity is applied to detect phase transitions accompanied with periodicity change, where the incommensurate MPS is generated by acting…

Ultrafast electron diffraction and time-resolved serial crystallography are the basis of the ongoing revolution in capturing at the atomic level of detail the structural dynamics of molecules. However, most experiments employ the classical…

The term Tensor Network States (TNS) refers to a number of families of states that represent different ans\"atze for the efficient description of the state of a quantum many-body system. Matrix Product States (MPS) are one particular case…

We present a framework for preparing quantum states from matrix product states (MPS) with open and periodic boundary conditions on quantum devices. The MPS tensors are mapped to unitary gates, which are subsequently decomposed into native…

We show how to simulate numerically both the evolution of 1D quantum systems under dissipation as well as in thermal equilibrium. The method applies to both finite and inhomogeneous systems and it is based on two ideas: (a) a representation…

Matrix Product States form the basis of powerful simulation methods for ground state problems in one dimension. Their power stems from the fact that they faithfully approximate states with a low amount of entanglement, the "area law". In…

In this work we develop several new simulation algorithms for 1D many-body quantum mechanical systems combining the Matrix Product State variational ansatz with Taylor, Pade and Arnoldi approximations to the evolution operator. By comparing…

We study the dynamics of the quenched Anderson model at finite temperature using matrix product states. Exploiting a chain mapping for the electron bath, we investigate the entanglement structure in the MPS for various orderings of the two…

Quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations have been developed to simulate molecular systems, where an explicit description of changes in the electronic structure is necessary. However, QM/MM MD…

The continuous matrix product state (cMPS) ansatz is a promising numerical tool for studying quantum many-body systems in continuous space. Although it provides a clean framework that allows one to directly simulate continuous systems, the…

In this work we develop several new simulation algorithms for 1D many-body quantum mechanical systems combining the Matrix Product State variational ansatz with Taylor, Pad\'e and Arnoldi approximations to the evolution operator. By…

Finance, especially option pricing, is a promising industrial field that might benefit from quantum computing. While quantum algorithms for option pricing have been proposed, it is desired to devise more efficient implementations of costly…

We compare the efficiency of different matrix product state (MPS) based methods for the calculation of two-time correlation functions in open quantum systems. The methods are the purification approach [1] and two approaches [2,3] based on…