Related papers: Random Walk Beyond Hartree-Fock
Explicit treatment of many-body Fermi statistics in path integral Monte Carlo (PIMC) results in exponentially scaling computational cost due to the near cancellation of contributions to observables from even and odd permutations. Through…
The `dynamic' Hubbard Hamiltonian describes interacting fermions on a lattice whose on-site repulsion is modulated by a coupling to a fluctuating bosonic field. We investigate one such model, introduced by Hirsch, using the determinant…
Recently developed neural network-based \emph{ab-initio} solutions (Pfau et. al arxiv:1909.02487v2) for finding ground states of fermionic systems can generate state-of-the-art results on a broad class of systems. In this work, we improve…
A new Markov Chain Monte Carlo method for simulating the dynamics of molecular systems characterized by hard-core interactions is introduced. In contrast to traditional Kinetic Monte Carlo approaches, where the state of the system is…
A new class of the constrained Monte Carlo (CMC) algorithms for the QCD evolution equation was recently discovered. The constraint is imposed on the type and the total longitudinal energy of the parton exiting QCD evolution and entering a…
Sign problem in quantum Monte Carlo (QMC) simulation appears to be an extremely hard yet interesting problem. In this article, we present a pedagogical overview on the origin of the sign problem in various quantum Monte Carlo simulation…
Simulating models for quantum correlated matter unveils the inherent limitations of deterministic classical computations. In particular, in the case of quantum Monte Carlo methods, this is manifested by the emergence of negative weight…
We describe computational methods for the theoretical study of explicit correlations beyond the mean field in excitons confined in semiconductor quantum dots in terms of the Auxiliary-Field Monte Carlo (AFMC) method. Using AFMC, the…
We present a novel quasi-Monte Carlo mechanism to improve graph-based sampling, coined repelling random walks. By inducing correlations between the trajectories of an interacting ensemble such that their marginal transition probabilities…
The quantum Monte Carlo algorithm is arguably one of the most powerful computational many-body methods, enabling accurate calculation of many properties in interacting quantum systems. In the presence of the so-called sign problem, the…
The time dependent quantum Monte Carlo method for fermions is introduced and applied for calculation of entanglement of electrons in one-dimensional quantum dots with several spin-polarized and spin-compensated electron configurations. The…
We present a general technique for addressing sign problems that arise in Monte Carlo simulations of field theories. This method deforms the domain of the path integral to a manifold in complex field space that maximizes the average sign…
Path integral Monte Carlo (PIMC) simulations have become an important tool for the investigation of the statistical mechanics of quantum systems. I discuss some of the history of applying the Monte Carlo method to non-relativistic quantum…
The effectiveness of the recently developed Fixed-Node Quantum Monte Carlo method for lattice fermions, developed by van Leeuwen and co-workers, is tested by applying it to the 1D Kondo lattice, an example of a one-dimensional model with a…
Hamiltonian Monte Carlo (HMC) algorithms which combine numerical approximation of Hamiltonian dynamics on finite intervals with stochastic refreshment and Metropolis correction are popular sampling schemes, but it is known that they may…
As an intrinsically-unbiased approach, quantum Monte Carlo (QMC) is of vital importance in understanding correlated phases of matter. Unfortunately, it often suffers notorious sign problem when simulating interacting fermion models. Here,…
The notorious fermion sign problem, arising from fermion statistics, presents a fundamental obstacle to the numerical simulation of quantum many-body systems. Here, we introduce a framework that circumvents the sign problem in the studies…
We introduce a method that combines the power of both the lattice Green function Monte Carlo (LGFMC) with the auxiliary field techniques (AFQMC), and allows us to compute exact ground state properties of the Hubbard model for U<~ 4t on…
The ab initio thermodynamic simulation of correlated Fermi systems is of central importance for many applications, such as warm dense matter, electrons in quantum dots, and ultracold atoms. Unfortunately, path integral Monte Carlo (PIMC)…
We present a unified theory of the variational Monte Carlo (VMC) and determinant quantum Monte Carlo (DQMC) methods using a novel density matrix formulation of VMC. We introduce an efficient algorithm for VMC to compute correlation…