Related papers: Rimu.jl: Random integrators for many-body quantum …
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…
For the approximation and simulation of twofold iterated stochastic integrals and the corresponding L\'{e}vy areas w.r.t. a multi-dimensional Wiener process, we review four algorithms based on a Fourier series approach. Especially, the very…
Quantum Monte Carlo (QMC) methods represent a powerful family of computational techniques for tackling complex quantum many-body problems and performing calculations of stationary state properties. QMC is among the most accurate and…
Auxiliary Field Quantum Monte Carlo (AFQMC) has emerged as a powerful framework for treating strongly correlated electronic systems, offering a favorable balance between computational cost and accuracy. In this paper, we present a novel…
We provide optimized recursion relations for homodyne tomography. We improve previous methods by mitigating the divergences intrinsic in the calculation of the pattern functions used previously, and detail how to implement the data analysis…
We develop three new methods to implement any Linear Combination of Unitaries (LCU), a powerful quantum algorithmic tool with diverse applications. While the standard LCU procedure requires several ancilla qubits and sophisticated…
State space models (SSMs) are a powerful and widely-used class of probabilistic models for analysing time-series data across various fields, from econometrics to robotics. Despite their prevalence, existing software frameworks for SSMs…
Response functions are key observables for probing the structure and dynamics of many-body systems. We introduce and demonstrate a quantum-classical framework for computing response functions of general many-fermion systems that also…
Integrating computational fluid dynamics (CFD) software into optimization and machine-learning frameworks is hampered by the rigidity of classic computational languages and the slow performance of more flexible high-level languages.…
RunMC is an object-oriented framework aimed to generate and to analyse high-energy collisions of elementary particles using Monte Carlo simulations. This package, being based on C++ adopted by CERN as the main programming language for the…
A simple algorithm is described to sample permutations of identical particles in Path Integral Monte Carlo (PIMC) simulations of continuum many-body systems. The sampling strategy illustrated here is fairly general, and can be easily…
We explore a novel and straightforward solution to the sign problem that has plagued the Auxiliary-field Monte Carlo (AFMC) method applied to many-body systems for more than a decade. We present a solution to the sign problem that has…
This paper presents a unified framework for studying dynamics and integration on $q$-cosymplectic manifolds. After outlining the geometric foundations of $q$-cosymplectic structures, we derive new results concerning integrable systems and…
We introduce JuliQAOA, a simulation package specifically built for the Quantum Alternating Operator Ansatz (QAOA). JuliQAOA does not require a circuit-level description of QAOA problems, or another package to simulate such circuits, instead…
Evaluation of relativistic molecular integrals over exponential-type spinor orbitals require using the relativistic auxiliary functions in prolate spheroidal coordinates. They have derived recently by the author [Physical Review E 91,…
Obtaining exact solutions to the Schr\"odinger equation in complex quantum systems poses significant challenges. In this context, numerical methods emerge as valuable tools for analyzing such systems. This article proposes a numerical…
Randomisation is widely used in quantum algorithms to reduce the number of quantum gates and ancillary qubits required. A range of randomised algorithms, including eigenstate property estimation by spectral filters, Hamiltonian simulation,…
We examine the application of the Variational Monte Carlo (VMC) method to a cluster model for halo nuclei. Particular attention is paid to the error estimate in the presence of correlations in the underlying random walk. We analyse the…
Arrays of optically trapped atoms excited to Rydberg states have recently emerged as a competitive physical platform for quantum simulation and computing, where high-fidelity state preparation and readout, quantum logic gates and controlled…
In common with many high-accuracy electronic structure methods, the initiator adaptation of full configuration interaction quantum Monte Carlo (i-FCIQMC) has difficulty treating realistic systems with large numbers of electrons. This…