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Hamiltonian Monte Carlo (HMC) is a state-of-the-art Markov chain Monte Carlo sampling algorithm for drawing samples from smooth probability densities over continuous spaces. We study the variant most widely used in practice, Metropolized…
The effective Hamiltonian method is a powerful tool for simulating large-scale systems across a wide range of temperatures. However, previous methods for constructing effective Hamiltonian models suffer from key limitations: some require to…
The presence of attractive interaction between fermions can lead to pairing and superfluidity in an optical lattice. The temperature needed to observe superfluidity is about a tenth of the tunneling energy in the optical lattice, and…
Parallel tempering is a meta-algorithm for Markov Chain Monte Carlo that uses multiple chains to sample from tempered versions of the target distribution, enhancing mixing in multi-modal distributions that are challenging for traditional…
Adiabatic quantum computers, such as the quantum annealers commercialized by D-Wave Systems Inc., are routinely used to tackle combinatorial optimization problems. In this article, we show how to exploit them to accelerate equilibrium…
We employ the numerical linked-cluster expansion to study finite-temperature properties of the uniform cubic lattice Hubbard model in the thermodynamic limit for a wide range of interaction strengths and densities. We carry out the…
Using a distinguishable-particle lattice model based on void-induced dynamics, we successfully reproduce the well-known linear relation between heat capacity and temperature at very low temperatures. The heat capacity is dominated by…
The specific heat of the Coulomb glass is studied by numerical simulations. Both the lattice model with various strengths of disorder, and the random-position model are considered for the one- to three-dimensional cases. In order to extend…
A hybrid lattice Boltzmann method (LBM) for binary mixtures based on the free-energy approach is proposed. Non-ideal terms of the pressure tensor are included as a body force in the LBM kinetic equations, used to simulate the continuity and…
We present a modification of the Hybrid Monte Carlo algorithm for tackling the critical slowing down of generating Markov chains of lattice gauge configurations towards the continuum limit. We propose a new method to exchange information…
A hybrid computational method coupling the lattice-Boltzmann (LB) method and a Langevin-dynamics (LD) method is developed to simulate nanoscale particle and polymer (NPP) suspensions in the presence of both thermal fluctuation and…
The Monte Carlo with Absorbing Markov Chains (MCAMC) method is introduced. This method is a generalization of the rejection-free method known as the $n$-fold way. The MCAMC algorithm is applied to the study of the very low-temperature…
A Markov chain update scheme using a machine-learned flow-based generative model is proposed for Monte Carlo sampling in lattice field theories. The generative model may be optimized (trained) to produce samples from a distribution…
We investigated the critical behavior of the Ising model in a triangular lattice with ferro and anti-ferromagnetic interactions modulated by the Fibonacci sequence, by using finite-size numerical simulations. Specifically, we used a replica…
We study the phase diagram of the asymmetric Hubbard model (AHM), which is characterized by different values of the hopping for the two spin projections of a fermion or equivalently, two different orbitals. This model is expected to provide…
Thermalisation is a probabilistic process. As such, it is generally expected that when we increase the temperature of a system its classical behaviour dominates its quantum coherences. By employing the Gibbs state of a translationally…
Histogram-reweighting Monte Carlo simulations were used to obtain polymer / solvent phase diagrams for lattice homopolymers of chain lengths up to r=1000 monomers. The simulation technique was based on performing a series of grand canonical…
The problem of simulating the thermal behavior of quantum systems remains a central open challenge in quantum computing. Unlike well-established quantum algorithms for unitary dynamics, \emph{provably efficient} algorithms for preparing…
Classical systems placed in contact with a thermal bath will inevitably equilibrate to a thermal state at the bath temperature. The same is not generally true for open quantum systems, which place additional conditions on the structure of…
While the 3d Ising model has defied analytic solution, various numerical methods like Monte Carlo, MCRG and series expansion have provided precise information about the phase transition. Using Monte Carlo simulation that employs the Wolff…