相关论文: The static parallel distribution algorithms for hy…
This article introduces a highly parallel algorithm for molecular dynamics simulations with short-range forces on single node multi- and many-core systems. The algorithm is designed to achieve high parallel speedups for strongly…
The use of Euler-Lagrange methods on unstructured grids extends their application area to more versatile setups. However, the lack of a regular topology limits the scalability of distributed parallel methods, especially for routines that…
Scaling deep neural network (DNN) training to more devices can reduce time-to-solution. However, it is impractical for users with limited computing resources. FOSI, as a hybrid order optimizer, converges faster than conventional optimizers…
Robust dynamic operating envelopes (RDOEs) solve the problem of secure allocation of latent network capacity to flexible distributed energy resources (DER) in unbalanced distribution networks. As the computational complexity of RDOEs is…
This paper investigates distributed control and incentive mechanisms to coordinate distributed energy resources (DERs) with both continuous and discrete decision variables as well as device dynamics in distribution grids. We formulate a…
Splitting is a method to handle application problems by splitting physics, scales, domain, and so on. Many splitting algorithms have been designed for efficient temporal discretization. In this paper, our goal is to use temporal splitting…
Neutral atom quantum computing's great scaling potential has resulted in it emerging as a popular modality in recent years. For state preparation, atoms are loaded stochastically and have to be detected and rearranged at runtime to create a…
In this paper, we develop a high order residual distribution (RD) method for solving steady state conservation laws in a novel Hermite weighted essentially non-oscillatory (HWENO) framework recently developed in [24]. In particular, we…
In the present work, a high order finite element type residual distribution scheme is designed in the framework of multidimensional compressible Euler equations of gas dynamics. The strengths of the proposed approximation rely on the…
By a high-order numerical homogenization method, a heterogeneous multiscale scheme was developed in Jin & Li (2022) for evolving differential equations containing two time scales. In this paper, we further explore the technique to propose…
Quantum-based molecular dynamics (QMD) is a highly accurate and transferable method for material science simulations. However, the time scales and system sizes accessible to QMD are typically limited to picoseconds and a few hundred atoms.…
A major challenge to implementing residential demand response is that of aligning the objectives of many households, each of which aims to minimize its payments and maximize its comfort level, while balancing this with the objectives of an…
The transition to the zero-carbon power system is underway accelerating recently. Hydrogen energy and electric vehicles (EVs) are promising solutions on the supply and demand sides. This paper presents a novel architecture that includes…
All-electron calculations play an important role in density functional theory, in which improving computational efficiency is one of the most needed and challenging tasks. In the model formulations, both nonlinear eigenvalue problem and…
Hybrid high-order (HHO) methods are numerical methods characterized by several interesting properties such as local conservativity, geometric flexibility and high-order accuracy. Here, HHO schemes are studied for the space…
Strong multiple scattering of the probe in scanning transmission electron microscopy (STEM) means image simulations are usually required for quantitative interpretation and analysis of elemental maps produced by electron energy-loss…
The ever increasing penetration of plug-in hybrid electric vehicles in distribution systems has triggered the need for a more accurate and at the same time fast solution to probabilistic distribution power flow problem. In this paper a…
A new, very fast, implementation of the exact (Fock) exchange operator for electronic structure calculations within the plane-wave pseudopotential method is described in detail for both molecular and periodic systems, and carefully…
The modelling and analysis of biological systems has deep roots in Mathematics, specifically in the field of ordinary differential equations (ODEs). Alternative approaches based on formal calculi, often derived from process algebras or term…
The implementation of a full electronic structure calculation code on a hybrid parallel architecture with Graphic Processing Units (GPU) is presented. The code which is on the basis of our implementation is a GNU-GPL code based on…