Scientific Grand Challenges: Discovery In Basic Energy Sciences: The Role of Computing at the Extreme Scale - August 13-15, 2009, Washington, D.C.

Galli, Giulia¹  Dunning, Thom² 

[1] Univ. of California, Davis, CA (United States). Workshop Chair;Univ. of Illinois, Urbana, IL (United States). Workshop Chair

关键词: computing;    Scientific Grand Challenges Workshop Series;    computational science;   

DOI  :  10.2172/1273408
RP-ID  :  PNNL--19902
PID  :  OSTI ID: 1273408

学科分类：数学（综合）

美国|英语

来源: SciTech Connect

【 摘 要 】

The U.S. Department of Energy’s (DOE) Office of Basic Energy Sciences (BES) and Office of Advanced Scientific Computing Research (ASCR) workshop in August 2009 on extreme-scale computing provided a forum for more than 130 researchers to explore the needs and opportunities that will arise due to expected dramatic advances in computing power over the next decade. This scientific community firmly believes that the development of advanced theoretical tools within chemistry, physics, and materials science—combined with the development of efficient computational techniques and algorithms—has the potential to revolutionize the discovery process for materials and molecules with desirable properties. Doing so is necessary to meet the energy and environmental challenges of the 21^st century as described in various DOE BES Basic Research Needs reports. Furthermore, computational modeling and simulation are a crucial complement to experimental studies, particularly when quantum mechanical processes controlling energy production, transformations, and storage are not directly observable and/or controllable. Many processes related to the Earth’s climate and subsurface need better modeling capabilities at the molecular level, which will be enabled by extreme-scale computing.