Related papers: Boosting quantum Monte Carlo and alleviating sign …
We present a new Monte Carlo algorithm for simulating quantum spin systems which is able to suppress the negative sign problem. This algorithm has only a linear complexity in the lattice size used for the simulation. A general description…
The quantum Monte Carlo (QMC) is one of the most promising many-body electronic structure approaches. It employs stochastic techniques for solving the stationary Schr\" odinger equation and for evaluation of expectation values. The key…
We extend the recently introduced phaseless auxiliary-field quantum Monte Carlo (QMC) approach to any single-particle basis, and apply it to molecular systems with Gaussian basis sets. QMC methods in general scale favorably with system…
Many-electron problems pose some of the greatest challenges in computational science, with important applications across many fields of modern science. Fermionic quantum Monte Carlo (QMC) methods are among the most powerful approaches to…
We consider the problem of estimating the probability of a large loss from a financial portfolio, where the future loss is expressed as a conditional expectation. Since the conditional expectation is intractable in most cases, one may…
The negative sign problem in quantum Monte Carlo (QMC) simulations of cluster impurity problems is the major bottleneck in cluster dynamical mean field calculations. In this paper we systematically investigate the dependence of the sign…
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…
Quantum computers have a potential for solving quantum chemistry problems with higher accuracy than classical computers. Quantum computing quantum Monte Carlo (QC-QMC) is a QMC with a trial state prepared in quantum circuit, which is…
Finding the ground state of a fermionic Hamiltonian using quantum Monte Carlo is a very difficult problem, due to the Fermi sign problem. While still scaling exponentially, full configuration-interaction Monte Carlo (FCI-QMC) mitigates some…
We use the Shadow Wave Function formalism as a convenient model to study the fermion sign problem affecting all projector Quantum Monte Carlo methods in continuum space. We demonstrate that the efficiency of imaginary time projection…
We present a numerical quantum Monte Carlo (QMC) method for simulating the 3D phase transition on the recently proposed fuzzy sphere [Phys. Rev. X 13, 021009 (2023)]. By introducing an additional $SU(2)$ layer degree of freedom, we…
We present a whole series of novel methods to alleviate the sign problem of the Fermionic Shadow Wave Function in the context of Variational Monte Carlo. The effectiveness of our new techniques is demonstrated on the example of liquid 3He.…
Quantum Monte Carlo (QMC) simulations constitute nowadays one of the most powerful methods to study strongly correlated quantum systems, provided that no "sign problem" arises. However, many systems of interest, including highly frustrated…
Monte Carlo simulations are a powerful tool for elucidating the properties of complex systems across many disciplines. Not requiring any a priori knowledge, they are particularly well suited for exploring new phenomena. However, when…
Quantum Monte Carlo (QMC) methods for the frustrated quantum spin systems occasionally suffer from the negative sign problem, which makes simulations exponentially harder for larger systems at lower temperatures and severely limits QMC's…
The notorious sign problem severely limits the applicability of quantum Monte Carlo (QMC) simulations, as statistical errors grow exponentially with system size and inverse temperature. A recent proposal of a quantum-computing stochastic…
Quantum tunneling is a valuable resource exploited by quantum annealers to solve complex optimization problems. Tunneling events also occur during projective quantum Monte Carlo (PQMC) simulations, and in a class of problems characterized…
We marry tensor network states (TNS) and projector quantum Monte Carlo (PMC) to overcome the high computational scaling of TNS and the sign problem of PMC. Using TNS as trial wavefunctions provides a route to systematically improve the sign…
Quantum Monte Carlo (QMC) methods have received considerable attention over the last decades due to their great promise for providing a direct solution to the many-body Schrodinger equation in electronic systems. Thanks to their low scaling…
Monte Carlo calculations in the framework of lattice field theory provide non-perturbative access to the equilibrium physics of quantum fields. When applied to certain fermionic systems, or to the calculation of out-of-equilibrium physics,…