美国橡树岭国家实验室与北卡罗来纳州立大学的研究团队近日取得了一项突破性进展，成功开发出实时模拟多达24,000个电子在材料中行为的计算能力。该研究利用了超算Frontier和开源代码Real-space Multigrid（RMG），为材料设计开辟了新的可能性。这种实时时间依赖密度泛函理论（RT-TDDFT）使科学家们能够模拟电子在纳米材料中如何响应光等刺激，极大地推动了先进光伏电池和新兴信息系统 ...

A research team from the Department of Energy's Oak Ridge National Laboratory, in collaboration with North Carolina State ...

Abstract: The aim of this paper is to show that the multigrid approach can provide an efficient two-dimensional Poisson solver used in the analysis of realistic semiconductor devices based on particle ...

Abstract: A multigrid inversion approach that uses variable resolutions of both the data space and the image space is proposed. Since the computational complexity of inverse problems typically ...