Computational Physics
It is known that the statistical properties of the spectrum provide an essential characterization of quantum chaos. The computation of a large group of interior eigenvalues at the middle spectrum is thus an important problem for quantum…
Forecasting of time-series data requires imposition of inductive biases to obtain predictive extrapolation, and recent works have imposed Hamiltonian/Lagrangian form to preserve structure for systems with reversible dynamics. In this work…
Neural networks are a prominent tool for identifying and modeling complex patterns, which are otherwise hard to detect and analyze. While machine learning and neural networks have been finding applications across many areas of science and…
In this paper we propose a dual-time stepping scheme for the Smoothed Particle Hydrodynamics (SPH) method. Dual-time stepping has been used in the context of other numerical methods for the simulation of incompressible fluid flows. Here we…
The discovery of ferroelectric HfO2 in thin films and more recently in bulk is an important breakthrough because of its silicon-compatibility and unexpectedly persistent polarization at low dimensions, but the origin of its ferroelectricity…
Obtaining a precise theoretical description of the spectral properties of liquid water poses challenges for both molecular dynamics (MD) and electronic structure methods. The lower computational cost of the Koopmans-compliant functionals…
Fine-scale simulation of complex systems governed by multiscale partial differential equations (PDEs) is computationally expensive and various multiscale methods have been developed for addressing such problems. In addition, it is…
In the present study, the multiphase volume distribution problem, where there can be an arbitrary number of phases, is addressed using a consistent and conservative volume distribution algorithm. The proposed algorithm satisfies the…
An implementation of a lattice-based approach for computing the topological skyrmion charge is provided for the open source micromagnetics code MuMax3. Its accuracy with respect to an existing method based on finite difference derivatives…
A problem of the erroneous duality gap caused by the presence of symmetries is solved in this paper utilizing point group theory. The optimization problems are first divided into two classes based on their predisposition to suffer from this…
The computational cost of fluid simulations increases rapidly with grid resolution. This has given a hard limit on the ability of simulations to accurately resolve small scale features of complex flows. Here we use a machine learning…
The Monte Carlo method is a powerful technique for computing thermodynamic magnetic states of otherwise unsolvable spin Hamiltonians, but the method becomes computationally prohibitive with increasing number of spins and the simulation of…
The integration of the equations of motion of N interacting particles, represents a classical problem in many branches of physics and chemistry. The direct N-body problem is at the heart of simulations studying Coulomb Crystals. We present…
We study a model of two-dimensional classical dimers on the square lattice with strong geometric constraints (there is exactly one bond with the nearest point for every point in the lattice). This model corresponds to the quantum dimer…
Transcranial ultrasound therapy is increasingly used for the non-invasive treatment of brain disorders. However, conventional numerical wave solvers are currently too computationally expensive to be used online during treatments to predict…
Monte Carlo methods provide detailed and accurate results for radiation transport simulations. Unfortunately, the high computational cost of these methods limits its usage in real-time applications. Moreover, existing computer codes do not…
We develop a numerical solver for three-dimensional wave propagation in coupled poroelastic-elastic media, based on a high-order discontinuous Galerkin (DG) method, with the Biot poroelastic wave equation formulated as a first order…
Strongly interacting quantum systems described by non-stoquastic Hamiltonians exhibit rich low-temperature physics. Yet, their study poses a formidable challenge, even for state-of-the-art numerical techniques. Here, we investigate…
Density functional theory (DFT) is an efficient instrument for describing a wide range of nanoscale phenomena: wetting transition, capillary condensation, adsorption, etc. In this paper, we suggest a method for obtaining the equilibrium…
In this paper, a diffuse-interface lattice Boltzmann method (DI-LBM) is developed for fluid-particle interaction problems. In this method, the sharp interface between the fluid and solid is replaced by a thin but nonzero thickness…