Related papers: Periodic Boundary Conditions for Bosonic Path Inte…

We work out two different analytical methods for calculating the boundary of the Mott-insulator-superfluid (MI-SF) quantum phase transition for scalar bosons in cubic optical lattices of arbitrary dimension at zero temperature which improve…

Physical models of biological systems can become difficult to interpret when they have a large number of parameters. But the models themselves actually depend on (i.e. are sensitive to) only a subset of those parameters. Rigorously…

We study theoretically a BEC loaded into an optical lattice in the tight-binding regime, with a second, weak incommensurate lattice acting as a perturbation. We find, using direct diagonalization of small systems and a large scale, number…

The zero-temperature phase diagram of a binary mixture of bosonic and fermionic atoms in an one-dimensional optical lattice is studied in the framework of the Bose-Fermi-Hubbard model. By exact numerical solution of the associated…

In this paper, we investigate systematically the Mott-insulator-Superfluid quantum phase transitions for ultracold scalar bosons in triangular, hexagonal, as well as Kagom\'e optical lattices. With the help of field-theoretical effective…

The high temperature many-body density matrix is fundamental to path integral computation. The pair approximation, where the interaction part is written as a product of pair density matrices, is commonly used and is accurate to order tau…

We analyze various quantum phases of ultracold bosonic atoms in a periodic one dimensional optical superlattice. Our studies have been performed using the finite size density matrix renormalization group (FS-DMRG) method in the framework of…

We study the groundstates of cold atomic gases on rotating optical lattices, as described by the Bose-Hubbard model in a uniform effective magnetic field. Mapping the bosons to composite fermions leads to the prediction of quantum Hall…

In numerical simulations of many charged systems at the micro/nano scale, a common theme is the repeated solution of the Poisson-Boltzmann equation. This task proves challenging, if not entirely infeasible, largely due to the nonlinearity…

We investigate the quantum phases of bosons in a two-chain-coupled ladder. This bosonic ladder is generally in a biased configuration, meaning that the two chains of the ladder can have dramatically different on-site interactions and…

Because most chemical or biological experiments are performed under conditions of controlled pressure and temperature, it is important to simulate the isobaric-isothermal ensemble at the atomic level to reveal the microscopic mechanism. By…

Accurately simulating molecular vibronic spectra remains computationally challenging due to the exponential scaling of required calculations. Here, we show that employing the linear coupling model within the gaussian boson sampling…

We study properties of ultra-cold bosonic atoms in one, two and three dimensional optical lattices by large scale quantum Monte Carlo simulations of the Bose Hubbard model in parabolic confinement potentials. Local phase structures of the…

Ultracold atoms in optical lattices are one of the most promising experimental setups to simulate strongly correlated systems. However, efficient numerical algorithms able to benchmark experiments at low-temperatures in interesting 3d…

In this thesis we provide the results obtained through lattice Monte Carlo simulations of the bosonic BMN and the bosonic BFSS matrix models. The simulations are performed using Hybrid Monte Carlo (HMC) algorithm. The BMN matrix model is…

Path integral molecular dynamics (PIMD), which maps a quantum particle onto a fictitious classical system of ring polymers and propagates the "beads" of this extended classical system using molecular dynamics, is widely used to capture…

Dissipative particle dynamics (DPD) is now a well-established method for simulating soft matter systems. However, its applicability was recently questioned because some investigations showed an upper coarse-graining limit that would prevent…

We consider in this paper random batch interacting particle methods for solving the Poisson-Nernst-Planck (PNP) equations, and thus the Poisson-Boltzmann (PB) equation as the equilibrium, in the external unbounded domain. To justify the…

Since their advent nearly a decade ago, physics-informed neural networks (PINNs) have been studied extensively as a novel technique for solving forward and inverse problems in physics and engineering. The neural network discretization of…

Combined-resolution simulations are an effective way to study molecular properties across a range of length- and time-scales. These simulations can benefit from adaptive boundaries that allow the high-resolution region to adapt (change size…