How Novel Algorithms and Access to High Performance Computing Platforms are Enabling Scientific Progress in Atomic and Molecular Physics

27th IUPAP Conference on Computational Physics

物理学;计算机科学

Schneider, Barry I.^1

Appl. and Compl. Mathematics Division National Institute of Standards and Technology Gaithersburg, MD

20899-8910, United States^1

关键词: Atomic and molecular physics;    Computing platform;    High performance computing;    Many-body problems;    Massively parallels;    Molecular systems;    Quantitative treatment;    Scientific progress;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/759/1/012002/pdf
DOI  :  10.1088/1742-6596/759/1/012002

学科分类：计算机科学（综合）

来源: IOP

【 摘 要 】

Over the past 40 years there has been remarkable progress in the quantitative treatment of complex many-body problems in atomic and molecular physics (AMP). This has happened as a consequence of the development of new and powerful numerical methods, translating these algorithms into practical software and the associated evolution of powerful computing platforms ranging from desktops to high performance computational instruments capable of massively parallel computation. We are taking the opportunity afforded by this CCP2015 to review computational progress in scattering theory and the interaction of strong electromagnetic fields with atomic and molecular systems from the early 1960's until the present time to show how these advances have revealed a remarkable array of interesting and in many cases unexpected features. The article is by no means complete and certainly reflects the views and experiences of the author.