Related papers: Stochastic Cluster Series expansion for quantum sp…
A quantitative first-principles description of complex substitutional materials like alloys is challenging due to the vast number of configurations and the high computational cost of solving the quantum-mechanical problem. Therefore,…
We provide a pedagogical introduction to numerical linked-cluster expansions (NLCEs). We sketch the algorithm for generic Hamiltonians that only connect nearest-neighbor sites in a finite cluster with open boundary conditions. We then…
We formulate a general setting for the cluster expansion method and we discuss sufficient criteria for its convergence. We apply the results to systems of classical and quantum particles with stable interactions.
Accurate many-body treatments of condensed-phase systems are challenging because correlated solvers such as full configuration interaction (FCI) and the density matrix renormalization group (DMRG) scale exponentially with system size.…
A spline chaos expansion, referred to as SCE, is introduced for uncertainty quantification analysis. The expansion provides a means for representing an output random variable of interest with respect to multivariate orthonormal basis…
A general-order open-shell coupled-cluster method based on spatial orbitals is formulated. The method is an extension of the partial-spin adaptation (PSA) scheme from Janssen and Schaefer (Theor. Chim. Acta, 79, 1-42, 1991). By increasing…
The efficiency of statistical sampling in broad-histogram Monte Carlo simulations can be considerably improved by optimizing the simulated extended ensemble for fastest equilibration. Here we describe how a recently developed feedback…
We demonstrate that a numerical linked cluster expansion method is a powerful tool to calculate quantum dynamics. We calculate the dynamics of the magnetization and spin correlations in the two-dimensional transverse field Ising and XXZ…
Spin network systems can be used to achieve quantum state transfer with high fidelity and to generate entanglement. A new approach to design spin-chain-based spin network systems, for shortrange quantum information processing and…
Long-standing challenges in cluster expansion (CE) construction include choosing how to truncate the expansion and which crystal structures to use for training. Compressive sensing (CS), which is emerging as a powerful tool for model…
The numerical simulation of dynamical phenomena in interacting quantum systems is a notoriously hard problem. Although a number of promising numerical methods exist, they often have limited applicability due to the growth of entanglement or…
Linked cluster expansions provide a useful tool both for analytical and numerical investigations of lattice field theories. The expansion parameter is the interaction strength fields at neighboured lattice sites are coupled. They result…
Stochastic Neighbor Embedding and its variants are widely used dimensionality reduction techniques -- despite their popularity, no theoretical results are known. We prove that the optimal SNE embedding of well-separated clusters from high…
We provide an efficient approximation for the exponential of a local operator in quantum spin systems using tensor-network representations of a cluster expansion. We benchmark this cluster tensor network operator (cluster TNO) for…
In [7], a cluster expansion method has been developed to study the fluctuations of the hard sphere dynamics around the Boltzmann equation. This method provides a precise control on the exponential moments of the empirical measure, from…
We propose an algorithm to obtain numerically approximate solutions of the direct Ising problem, that is, to compute the free energy and the equilibrium observables of spin systems with arbitrary two-spin interactions. To this purpose we…
In recent years we have witnessed a growing interest in various non-equilibrium systems described in terms of stochastic non-linear field theories. In some of those systems like the KPZ and related models, the interesting behavior is in the…
We present a general strategy to extend quantum cluster algorithms for S=1/2 spin systems, such as the loop algorithm, to systems with arbitrary size of spins. In general, the partition function of a high-S spin system is represented in…
Many computational methods in ab initio quantum chemistry are formulated in terms of high-order tensor contractions, whose cost determines the size of system that can be studied. We introduce stochastic tensor contraction to perform such…
We present an algorithm for the efficient simulation of the half-filled spinless $t$-$V$ model on bipartite lattices, which combines the stochastic series expansion method with determinantal quantum Monte Carlo techniques widely used in…