Starting in FY 2009, the Chemical Sciences, Geosciences, and Biosciences Division of BES will invest $1.0 - $2.0 million annually for projects in the area of Computational and Theoretical Chemistry. Successful proposals should have a sharp focus on tightly coupling research in theory, computation and simulation to fundamental chemistry matters related to the future energy needs of the nation (See http://www.sc.doe.gov/bes/reports/list.html). Research addressing fundamental problems, in the short- or long-term which will enhance or enable conversion to clean, sustainable, renewable, novel or highly efficient energy use, are of particular interest. Approaches must include application to real molecular-scale systems and should address a current shortcoming in theory, algorithm, computation, or modeling and simulation capabilities.

Approximately 6-12 new awards in the range of $120K/year are expected during FY2009. Awards are expected to be made for both immediate-need projects expected to conclude within 3-years (Not Renewable), and for long-term efforts that anticipate the necessity of renewal awards following an initial 3-year period (Renewable). To ensure consideration, pre-applications must be submitted in pdf format electronically to This e-mail address is being protected from spambots. You need JavaScript enabled to view it by November 21, 2008. BES program managers will evaluate preapplications for relevance to this expression of interest and to the BES research portfolio. Based on these evaluations, proposers will either be encouraged to submit a full proposal application or discouraged, in which case a full application will not be accepted. Approximately 24 invitations for full proposals for FY2009 funding will be sent out by January 9, 2009. A researcher may not participate in more than one submission.

Chemistry Problems that require software and algorithm development or improvement on scaling and performance and which require large-scale computing platforms or new hardware paradigms may be considered for co funding with the Office of Advanced Scientific Computing Research (ASCR) under the SciDAC Program in consultation with ASCR Program Managers. Investigators may be advised to submit revised proposals in partnership with researchers from Computer Science or Applied Mathematics Communities for funding in FY 2010.