Related papers: Sign-Problem-Free Nuclear Quantum Monte Carlo Simu…
It is shown that a class of separately frustration-free (SFF) Hamiltonians can be Monte Carlo simulated efficiently on a classical computing machine, because such an SFF Hamiltonian corresponds to a Gibbs wavefunction whose nodal structure…
The sign problem is a key challenge in computational physics, encapsulating our inability to properly understand many important quantum many-body phenomena in physics, chemistry and the material sciences. Despite its centrality, the…
Quantum computing (QC) has the potential to revolutionise the future of scientific simulations. To harness the capabilities that QC offers, we can integrate it into hybrid quantum-classical simulations, which can boost the capabilities of…
The path integral formulation of quantum mechanical problems including fermions is often affected by a severe numerical sign problem. We show how such a sign problem can be alleviated by a judiciously chosen constant imaginary offset to the…
Numerical simulations of numerous quantum systems suffer from the notorious sign problem. Important examples include QCD and other field theories at non-zero chemical potential, at non-zero vacuum angle, or with an odd number of flavors, as…
The great majority of algorithms employed in the study of lattice field theory are based on Monte Carlo's importance sampling method, i.e. on probability interpretation of the Boltzmann weight. Unfortunately in many theories of interest one…
Projection Monte Carlo calculations of lattice Chiral Effective Field Theory suffer from sign oscillations to a varying degree dependent on the number of protons and neutrons. Hence, such studies have hitherto been concentrated on nuclei…
In quantum information theory, there is an explicit mapping between general unitary dynamics and Hermitian ground state eigenvalue problems known as the Feynman-Kitaev Clock. A prominent family of methods for the study of quantum ground…
This work shows that the recently discovered operator contraction identity for solving the discreet Path Integral of the harmonic oscillator can be applied equally to fermions in any dimension. This then yields an exactly solvable model for…
Quasi-Monte Carlo (QMC) methods for estimating integrals are attractive since the resulting estimators typically converge at a faster rate than pseudo-random Monte Carlo. However, they can be difficult to set up on arbitrary posterior…
It has become increasingly feasible to use quantum Monte Carlo (QMC) methods to study correlated fermion systems for realistic Hamiltonians. We give a summary of these techniques targeted at researchers in the field of correlated electrons,…
The fermion sign problem, the biggest obstacle in quantum Monte Carlo calculations, is completely solved in this paper. Here, we find a strategy, in which the contribution from those negative-weighted paths is thoroughly cancelled or…
The yardstick of new first-principles approaches to key points on reaction paths at metal surfaces is chemical accuracy compared to reliable experiment. By this we mean that such values as the activation barrier are required to within 1…
A fundamental open issue in physics is whether and how the fermion sign problem in quantum Monte Carlo (QMC) simulations can be solved generically. Here, we show that Majorana-time-reversal (MTR) symmetries can provide a unifying principle…
The mystery of the infamous sign problem in quantum Monte Carlo simulations mightily restricts applications of the method in fermionic and frustrated systems. A recent work [Science 375, 418 (2022)] made a remarkable breakthrough in the…
We discuss the sign problem arising in Monte Carlo simulations of frustrated quantum spin systems. We show that for a class of ``semi-frustrated'' systems (Heisenberg models with ferromagnetic couplings $J_z(r) < 0$ along the $z$-axis and…
QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum…
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…
A powerful way to guarantee the absence of a sign problem in determinantal quantum Monte Carlo simulations is imposing a particular type of anti-unitary symmetries. It is shown that these same symmetries give rise to constraints on…
Quantum Monte Carlo simulations are powerful and versatile tools for the quantum many-body problem. In addition to the usual calculations of energies and eigenstate observables, quantum Monte Carlo simulations can in principle be used to…