Related papers: Explicit and CPU/GPU parallel energy-preserving sc…
In this work, we present two numerical methods to approximate solutions of systems of dissipative sine-Gordon equations that arise in the study of one-dimensional, semi-infinite arrays of Josephson junctions coupled through superconducting…
In this paper, we develop a novel staggered mesh (SM) approach for general nonlinear dissipative systems with arbitrary energy distributions (including cases with known or unknown energy lower bounds). Based on this framework, we propose…
Discretizing an analytic function on a uniform real-space grid is often done via a straightforward collocation method. This is ubiquitous in all areas of computational physics and quantum chemistry. An example in Density Functional Theory…
In this paper we discuss a new and very efficient implementation of high order accurate ADER discontinuous Galerkin (ADER-DG) finite element schemes on modern massively parallel supercomputers. The numerical methods apply to a very broad…
The $L^2$ gradient flow of the Ginzburg-Landau free energy functional leads to the Allen Cahn equation that is widely used for modeling phase separation. Machine learning methods for solving the Allen-Cahn equation in its strong form suffer…
CPU-GPU heterogeneous architectures are now commonly used in a wide variety of computing systems from mobile devices to supercomputers. Maximizing the throughput for multi-programmed workloads on such systems is indispensable as one single…
We study a two-grid strategy for decoupling the time-dependent Poisson-Nernst-Planck equations describing the mass concentration of ions and the electrostatic potential. The computational system is decoupled to smaller systems by using…
With tens of petaflops supercomputers already in operation and exaflops machines expected to appear within the next 10 years, efficient parallel computational methods are required to take advantage of such extreme-scale machines. In this…
In this work, a new parallel dual-grid multiscale approach for CFD-DEM couplings is investigated. Dual- grid multiscale CFD-DEM couplings have been recently developed and successfully adopted in different applications still, an efficient…
Parallel algorithms on CPU and GPU are implemented for the Unified Gas-Kinetic Scheme and their performances are investigated and compared by a two dimensional channel flow case. The parallel CPU algorithm has a one dimensional block…
An energy conservative discontinuous Galerkin scheme for a generalised third order KdV type equation is designed. Based on the conservation principle, we propose techniques that allow for the derivation of optimal a priori bounds for the…
The alternating current optimal power flow (AC-OPF) problem is critical to power system operations and planning, but it is generally hard to solve due to its nonconvex and large-scale nature. This paper proposes a scalable decomposition…
Cloud Computing paradigm has revolutionized IT industry and be able to offer computing as the fifth utility. With the pay-as-you-go model, cloud computing enables to offer the resources dynamically for customers anytime. Drawing the…
In this paper, we develop a new free-stream preserving (FP) method for high-order upwind conservative finite-difference (FD) schemes on the curvilinear grids. This FP method is constrcuted by subtracting a reference cell-face flow state…
We propose a generic multistage stochastic model for the Alternating Current Optimal Power Flow (AC OPF) problem for radial distribution networks, to account for the random electricity production of renewable energy sources and dynamic…
This article presents an optimized algorithm and implementation for calculating resolution-of-the-identity Hartree-Fock (RI-HF) energies and analytic gradients using multiple Graphics Processing Units (GPUs). The algorithm is especially…
Modeling data sharing in GPU programs is a challenging task because of the massive parallelism and complex data sharing patterns provided by GPU architectures. Better GPU caching efficiency can be achieved through careful task scheduling…
We propose a GPU-based distributed optimization algorithm, aimed at controlling optimal power flow in multi-phase and unbalanced distribution systems. Typically, conventional distributed optimization algorithms employed in such scenarios…
Analytic energy gradients are presented for a variational two-electron reduced-density-matrix-driven complete active space self-consistent field (v2RDM-CASSCF) procedure that employs the density-fitting (DF) approximation to the…
We describe a charge-conserving scatter-gather algorithm for particle-in-cell simulations on unstructured grids. Charge conservation is obtained from first principles, i.e., without the need for any post-processing or correction steps. This…