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Entanglement entropy has been a powerful tool for analyzing phases and criticality in pure ground states via quantum Monte Carlo (QMC). However, mixed-state entanglement, relevant to systems with dissipation, finite temperature, and…
The many-body dynamics of a quantum computer can be reduced to the time evolution of non-interacting quantum bits in auxiliary fields by use of the Hubbard-Stratonovich representation of two-bit quantum gates in terms of one-bit gates. This…
We generalize the imaginary chemical potential quantum Monte Carlo (QMC) method proposed by Dagotto et al. [Phys. Rev. B 41, R811 (1990)] to systems without particle-hole symmetry. The generalized method is tested by comparing the results…
The implementation and reliability of a quadratic diffusion Monte Carlo method for the study of ground-state properties of atoms are discussed. We show in the simple yet non-trivial calculation of the binding energy of the Li atom that the…
Extreme mesoscale weather, including tropical cyclones, squall lines, and floods, can be enormously damaging and yet challenging to simulate; hence, there is a pressing need for more efficient simulation strategies. Here we present a new…
This article reviews the basic computational techniques for carrying out multi-scale simulations using statistical methods, with the focus on simulations of epitaxial growth. First, the statistical-physics background behind Monte Carlo…
We present a systematic downfolding many-body approach for extended systems. Many-body calculations operate on a simpler Hamiltonian which retains material-specific properties. The Hamiltonian is systematically improvable and allows one to…
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…
Computing the ground-state properties of quantum many-body systems is a promising application of near-term quantum hardware with a potential impact in many fields. The conventional algorithm quantum phase estimation uses deep circuits and…
In this work, we introduce a simple modification of the Monte Carlo algorithm, which we call step Monte Carlo (sMC). The sMC approach allows to simulate processes far from equilibrium and obtain information about the dynamic properties of…
We present \emph{multi-qubit correction} (MQC) as a novel postprocessing method for quantum annealers that views the evolution in an open-system as a Gibbs sampler and reduces a set of excited states to a new synthetic state with lower…
Quantum annealers are specialized quantum computers for solving combinatorial optimization problems using special characteristics of quantum computing (QC), such as superposition, entanglement, and quantum tunneling. Theoretically, quantum…
We calculate ground-state properties of a many-quark system in the string-flip model using variational Monte Carlo methods. The many-body potential energy of the system is determined by finding the optimal grouping of quarks into hadrons.…
Simulating lattice gauge theory (LGT) Hamiltonian and its nontrivial states by programmable quantum devices has attracted numerous attention in recent years. Rydberg atom arrays constitute one of the most rapidly developing arenas for…
We derive exact, universal, closed-form quantum Monte Carlo estimators for finite-temperature energy susceptibility and fidelity susceptibility, applicable to essentially arbitrary Hamiltonians. Combined with recent advancements in Monte…
The strongest evidence for superiority of quantum annealing on spin glass problems has come from comparing simulated quantum annealing using quantum Monte Carlo (QMC) methods to simulated classical annealing [G. Santoro et al., Science 295,…
Many high dimensional optimization problems can be reformulated into a problem of finding theoptimal state path under an equivalent state space model setting. In this article, we present a general emulation strategy for developing a state…
The Hybrid Monte Carlo (HMC) algorithm currently is the favorite scheme to simulate quantum chromodynamics including dynamical fermions. In this talk-which is intended for a non-expert audience--I want to bring together methodical and…
We propose an end-to-end integrated strategy to produce highly accurate quantum chemistry (QC) synthetic datasets (energies and forces) aimed at deriving Foundation Machine Learning models for molecular simulation. Starting from Density…
This paper introduces the first quantum computing framework for Stochastic Quantum Power Flow (SQPF) analysis in power systems. The proposed method leverages quantum states to encode power flow distributions, enabling the use of Quantum…