相关论文: Object-oriented construction of a multigrid electr…

Inspired by multigrid methods for linear systems of equations, multilevel optimization methods have been proposed to solve structured optimization problems. Multilevel methods make more assumptions regarding the structure of the…

We have modeled transport properties of nanostructures using the Green's function method within the framework of the density-functional theory. The scheme is computationally demanding so that numerical methods have to be chosen carefully. A…

Finite element codes typically use data structures that represent unstructured meshes as collections of cells, faces, and edges, each of which require associated coordinate systems. One then needs to store how the coordinate system of each…

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…

In soft matter science, it is often the goal to design new materials with targeted properties. These materials can be used in many applications, each requiring specific features to be optimized for maximum fitness. The use of self-assembly…

This document gives an overview of a Grid testbed architecture proposal for the NorduGrid project. The aim of the project is to establish an inter-Nordic testbed facility for implementation of wide area computing and data handling. The…

This review discusses progress in efficient solvers which have as their foundation a representation in real space, either through finite-difference or finite-element formulations. The relationship of real-space approaches to linear-scaling…

Kinematic structures are very common in the real world. They range from simple articulated objects to complex mechanical systems. However, despite their relevance, most model-based 3D tracking methods only consider rigid objects. To…

We present a new application of multi-orbit cyclic subspace codes to construct large optical orthogonal codes, with the aid of the multiplicative structure of finite fields extensions. This approach is different from earlier approaches…

Smart grid can be considered as the next step in the evolution of power systems. It comprises of different entities and objects ranging from smart appliances, smart meters, generators, smart storages, and more. One key problem in modeling…

We propose an efficient reduced-order technique for electronic structure calculations of semiconductor nanostructures, suited for inclusion in full-band quantum transport simulators. The model is based on the linear combination of bulk…

Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accuracy at the base, reliable predictions are unlikely at any…

In this survey paper, we review recent work on frameworks for the high-level, portable programming of heterogeneous multi-/manycore systems (especially, GPU-based systems) using high-level constructs such as annotated user-level software…

To create heterogeneous, multiscale structures with unprecedented functionalities, recent topology optimization approaches design either fully aperiodic systems or functionally graded structures, which compete in terms of design freedom and…

Density functional theory (DFT) has emerged as one of the most versatile and lucrative approaches in electronic structure calculations of many-electron systems in past four decades. Here we give an account of the development of a…

Deploying robot learning methods to aerial robots in unstructured environments remains both challenging and promising. While recent advances in deep reinforcement learning (DRL) have enabled end-to-end flight control, the field still lacks…

To improve the quality of programs we provide an approach to guidance in the process of program development. At the higher level the various activities and their dependencies to structure the process are identified. At the lower level,…

We study multilevel techniques, commonly used in PDE multigrid literature, to solve structured optimization problems. For a given hierarchy of levels, we formulate a coarse model that approximates the problem at each level and provides a…

The electronic charge density plays a central role in determining the behavior of matter at the atomic scale, but its computational evaluation requires demanding electronic-structure calculations. We introduce an atom-centered,…

The electronic structure of a material fundamentally determines its underlying physical, and by extension, its functional properties. Consequently, the ability to identify or generate materials with desired electronic properties would…