Open AccessReport of a Workshop on Parallelization of Coupled Cluster Methods
Author(s) -
Erik Deumens
Publication year - 2008
Publication title -
osti oai (u.s. department of energy office of scientific and technical information)
Language(s) - English
Resource type - Reports
DOI - 10.2172/936323
Subject(s) - petascale computing , benchmark (surveying) , computer science , cluster (spacecraft) , scalability , tera , principal (computer security) , attendance , data science , coupled cluster , computational science , parallel computing , supercomputer , physics , database , geography , molecule , cartography , operating system , quantum mechanics , economic growth , economics
The benchmark, ab initio quantum mechanical methods for molecular structure and spectra are now recognized to be coupled-cluster theory. To benefit from the transiiton to tera- and petascale computers, such coupled-cluster methods must be created to run in a scalable fashion. This Workshop, held as a aprt of the 48th annual Sanibel meeting, at St. Simns, Island, GA, addressed that issue. Representatives of all the principal scientific groups who are addressing this topic were in attendance, to exchange information about the problem and to identify what needs to be done in the future. This report summarized the conclusions of the workshop
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom