Related papers: Evaluating a quantum-classical quantum Monte Carlo…
We investigate the boundary between classical and quantum computational power. This work consists of two parts. First we develop new classical simulation algorithms that are centered on sampling methods. Using these techniques we generate…
This Perspective focuses on the several overlaps between quantum algorithms and Monte Carlo methods in the domains of physics and chemistry. We will analyze the challenges and possibilities of integrating established quantum Monte Carlo…
The combination of a non-overlapping Schwarz preconditioner and the Hybrid Monte Carlo (HMC) algorithm is shown to yield an efficient simulation algorithm for two-flavour lattice QCD with Wilson quarks. Extensive tests are performed, on…
Ab-initio Monte Carlo simulations of strongly-interacting fermionic systems are plagued by the fermion sign problem, making the non-perturbative study of many interesting regimes of dense quantum matter, or of theories of odd numbers of…
Dynamical mean-field theory (DMFT) is one of the most widely-used methods to treat accurately electron correlation effects in ab-initio real material calculations. Many modern large-scale implementations of DMFT in electronic structure…
Models of interacting many-body quantum systems that may realize new exotic phases of matter, notably quantum spin liquids, are challenging to study using even state-of-the-art classical methods such as tensor network simulations. Quantum…
We present a new approach for Monte Carlo simulations of lattice quantum spin systems which is able to eliminate the negative sign problem. Its complexity is linear in the volume of the lattice. Its efficiency is tested on a simple…
Quantum Computing (QC) offers outstanding potential for molecular characterization and drug discovery, particularly in solving complex properties like the Ground State Energy (GSE) of biomolecules. However, QC faces challenges due to…
Clifford gates are a winsome class of quantum operations combining mathematical elegance with physical significance. The Gottesman-Knill theorem asserts that Clifford computations can be classically efficiently simulated but this is true…
We propose an efficient scheme for verifying quantum computations in the `high complexity' regime i.e. beyond the remit of classical computers. Previously proposed schemes remarkably provide confidence against arbitrarily malicious…
Non-Hermitian quantum systems exhibit unique properties and hold significant promise for diverse applications, yet their dynamical simulation poses a particular challenge due to intrinsic openness and non-unitary evolution. Here, we…
The Quantum Computer Condition (QCC) provides a rigorous and completely general framework for carrying out analyses of questions pertaining to fault-tolerance in quantum computers. In this paper we apply the QCC to the problem of…
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,…
The convergence of full configuration interaction quantum Monte Carlo (FCIQMC) is accelerated using a quasi-Newton propagation (QN) which can also be applied to coupled cluster Monte Carlo (CCMC). The computational scaling of this optimised…
We present a hybrid quantum-classical Green's function Monte Carlo (GFMC) algorithm for estimating the excited states of the nuclear shell model. The conventional GFMC method, widely used to find the ground state of a quantum many-body…
Randomized measurements are increasingly appreciated as powerful tools to estimate properties of quantum systems, e.g., in the characterization of hybrid classical-quantum computation. On many platforms they constitute natively accessible…
Computationally efficient and accurate quantum mechanical approximations to solve the many-electron Schr\"odinger equation are at the heart of computational materials science. In that respect the coupled cluster hierarchy of methods plays a…
We present a framework of an auxiliary field quantum Monte Carlo (QMC) method for multi-orbital Hubbard models. Our formulation can be applied to a Hamiltonian which includes terms for on-site Coulomb interaction for both intra- and…
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 vast and complicated large-qubit state space forbids us to comprehensively capture the dynamics of modern quantum computers via classical simulations or quantum tomography. Recent progress in quantum learning theory prompts a crucial…