Basic Energy Sciences Basic Energy Sciences Division of Chemical Sciences, Geosciences, and Biosciences BESAC, October 20, 2003 Basic Energy Sciences Advisory Committee Basic Energy Sciences Advisory Committee Report of the Chemical Sciences, Geosciences, and Biosciences Division Office of Basic Energy Sciences Walter J. Stevens, Director [email protected]Phone 301-903-5804 http://www.sc.doe.gov/ bes/
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Basic Energy Sciences Division of Chemical Sciences, Geosciences, and Biosciences BESAC, October 20, 2003 Basic Energy Sciences Advisory Committee Report.
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Basic Energy SciencesBasic Energy SciencesDivision of Chemical Sciences, Geosciences, and Biosciences
BESAC, October 20, 2003
Basic Energy Sciences Advisory CommitteeBasic Energy Sciences Advisory Committee
Report of the
Chemical Sciences, Geosciences, and Biosciences Division
Basic Energy SciencesBasic Energy SciencesDivision of Chemical Sciences, Geosciences, and Biosciences
BESAC, October 20, 2003
Recent Division Activities Linked to BESACRecent Division Activities Linked to BESAC
Basic Energy SciencesBasic Energy SciencesDivision of Chemical Sciences, Geosciences, and Biosciences
BESAC, October 20, 2003
BESAC Workshop ReportMay 14-16, 2002
“Opportunities for Catalysis in the 21st Century”
J.M. White (U Texas) – ChairJ. Bercaw (Caltech) – Writing Group Chair
75 participants
Increases in Catalysis ResearchIncreases in Catalysis Research
Basic Energy SciencesBasic Energy SciencesDivision of Chemical Sciences, Geosciences, and Biosciences
BESAC, October 20, 2003
Increases in Catalysis ResearchIncreases in Catalysis Research
FY2003 Solicitation: Catalysis Science
Office of Science Notice 03-16Published December 17, 2002Letters of Intent submitted by February 5, 2003.Formal applications received by March 26, 2003.
$6.5M to be distributed, between universities and National Laboratories
GOAL: to develop combined experimental and theoretical approaches to enable molecular-level understanding of catalytic reaction mechanisms, ultimately enabling the prediction of catalytic reactivity at multiple time and length scales. Strongly encouraged are applications which:
integrate physical, chemical, and/or biochemical experimentation with solid state and molecular reactivity theories;
integrate atomistic design of catalytically active sites; molecular, supramolecular or solid-state synthesis; and in-situ, time- and space-resolved, spectroscopy and microscopy;
identify mechanisms and principles common to homogeneous, heterogeneous, and bio catalysis for the purpose of advancing the understanding of catalysis and developing novel chemical or physical functionalities; and
seek to understand and manage catalyst complexity arising from the combination of diverse functionalities, namely chemical, biological, electronic, optical, magnetic, mechanical, thermal, etc.
Basic Energy SciencesBasic Energy SciencesDivision of Chemical Sciences, Geosciences, and Biosciences
BESAC, October 20, 2003
62 multi-investigator proposals submitted.
Request: $49M for FY03.
Multidisciplinary review panel of 28 experts.
11 proposals funded: $7.5M (FY03)
Success rate of 15% on a dollar basis 18% on a proposal basis
59 PIs in 19 universities and 3 national laboratories42 new investigators (new to the DOE-BES Catalysis program)
Three-year allocations: $5.3M for national laboratories and $14.8M for universities.
Increases in Catalysis ResearchIncreases in Catalysis Research
Basic Energy SciencesBasic Energy SciencesDivision of Chemical Sciences, Geosciences, and Biosciences
BESAC, October 20, 2003
Broad:
PNNL (Dixon et al.) – Metal-Oxide Catalytic Functionalities U. Delaware (Barteau et al.) – Metal-Alloy Based CatalystsAmes Lab (Pruski et al.) – Molecular-Inorganic Hybrid Material CatalystsPurdue U. (Delgass et al.) – Catalysis Informatics
Specific:
Emory U. (Musaev et al.) – Inorganic molecular cages: mechanistic principlesU. Pittsburgh (Yang et al.) – Achieving atomic resolution in nanoclustersCleveland St U (Bayachou et al.) – Understanding the electrochemistry of
enzymesColumbia U. (Heinz et al.) – Energy flow dynamics with fs and nm resolution Georgia Tech (Jones et al.) – Immobilized organometallic interface designUC S Barbara (Scott et al.) – Hierarchical inorganic structures for site design UC Riverside (Zaera et al.) – The surface catalysis of chiral synthesis
Increases in Catalysis ResearchIncreases in Catalysis Research
Basic Energy SciencesBasic Energy SciencesDivision of Chemical Sciences, Geosciences, and Biosciences
BESAC, October 20, 2003
FY2003 Solicitation: Theory, Modeling and Simulation in Nanoscience
Notice 03-17 --Published February 6, 2003Preapplications received by February 18, 2003. Formal applications received by April 9, 2003.
$6.0M Solicitaton Joint with the Office of Advance Scientific Computing Research. $1.5M Contribution from DCSG&B
A new investment in theory, modeling and simulation in nanoscience will have a major impact on the national nanoscience initiative, by stimulating the formation of alliances and teams of experimentalists, theorists, applied mathematicians, and computer and computational scientists to meet the challenge of developing a broad quantitative understanding of structure and dynamics at the nanoscale.
Increases in Theory, Modeling, and SimulationIncreases in Theory, Modeling, and Simulation
Basic Energy SciencesBasic Energy SciencesDivision of Chemical Sciences, Geosciences, and Biosciences
BESAC, October 20, 2003
• 62 Preapplications were received of which 17 were encouraged to submit applications and an additional 9 were told to submit applications if greater attention was paid to the cross disciplinary nature of the announcement
• 34 Applications were received representing 280 PIs, some from people who had been discouraged. Of the 34, 30 were deemed to be responsive to the call.
• These 30 were reviewed by two panels of 14 each.
• In the end, 4 projects were funded.
Increases in Theory, Modeling, and SimulationIncreases in Theory, Modeling, and Simulation
Basic Energy SciencesBasic Energy SciencesDivision of Chemical Sciences, Geosciences, and Biosciences
BESAC, October 20, 2003
Computational Nanophotonics– Stephen Gray, Argonne National Laboratory PI– Participants from ANL, Northwestern, Georgia State, Central
Michigan, Illinois at Chicago– $1.29 M/year (average)
Predicting the Electronic Properties of 3D, Million-Atom Semiconductor Nanostructure Architectures
– Alex Zunger, National Renewable Energy Laboratory PI– Participants from NREL, LBNL, ORNL, U. Tennessee– $1.4 M/year (average)
Increases in Theory, Modeling, and SimulationIncreases in Theory, Modeling, and Simulation
Basic Energy SciencesBasic Energy SciencesDivision of Chemical Sciences, Geosciences, and Biosciences
BESAC, October 20, 2003
Scalable methods for electronic excitations and optical responses of nanostructures
– Juan Meza & Martin Head-Gordon, Lawrence Berkeley National Laboratory, PI’s
– Participants from LBNL, UCLA, U. Minnesota, and NYU– $1.55 M/year (Ave.)
Integrated Multiscale Modeling of Molecular Computing Devices
– Peter Cummings et al, Vanderbilt University PIs– Participants from Vanderbilt, ORNL, NC State, Princeton,
Colorado, and Tennessee– $1.25 M/year (Ave.)
Increases in Theory, Modeling, and SimulationIncreases in Theory, Modeling, and Simulation
Basic Energy SciencesBasic Energy SciencesDivision of Chemical Sciences, Geosciences, and Biosciences
BESAC, October 20, 2003
• Universities (BES) $1.31M
• Laboratories (BES) $1.80M
• Total (BES) $3.11M
• Universities (MICS) $0.41M
• Laboratories (MICS) $1.98M
• Total (MICS) $2.39M
Increases in Theory, Modeling, and SimulationIncreases in Theory, Modeling, and Simulation
Basic Energy SciencesBasic Energy SciencesDivision of Chemical Sciences, Geosciences, and Biosciences
BESAC, October 20, 2003
Basic Research Needs for the Hydrogen Basic Research Needs for the Hydrogen EconomyEconomy
http://www.sc.doe.gov/bes/hydrogen.pdf
Messages
Enormous gap between present state-of-the-art and requirements for competitive hydogen economy
fuel cells $3000/kW: internal combustion
engine $35/kWhydrogen from CH4 is 4x energy cost of
gasno acceptable hydrogen storage
material
Technical barriers can be overcome only with high
risk/high payoff basic research
Research is highly interdiscinplary materials chemistry, physics, biology, engineering, nanoscienceThe American Institute of Physics Bulletin of Science Policy News #109:
August 21, 2003
The workshop's findings are presented in this report that is both readable by the general public and, particularly in a 65-page section on research directions, sufficiently detailed to outline basic research needs.
Basic Energy SciencesBasic Energy SciencesDivision of Chemical Sciences, Geosciences, and Biosciences
BESAC, October 20, 2003
New BES Procedures and Guidelines for New BES Procedures and Guidelines for National Laboratory Program ReviewsNational Laboratory Program Reviews
Basic Energy SciencesBasic Energy SciencesDivision of Chemical Sciences, Geosciences, and Biosciences
BESAC, October 20, 2003
• Six months before the fiscal year begins (April 1): National Lab informed of upcoming reviews for the fiscal year.
• Three months prior to Review Document due date: National Lab informed of specific review and instructed to prepare review documents according to published guidelines. The type of review (mail, panel visit, or both) and due dates are set.
• One month after Review Document received: Letter and proposals sent to reviewers.
• Three months after the Review Document received: Reviews from Reviewers are due
• Four and a half months after the Review Document Received: Debriefing with Division Director and Associate Director for BES has occured.
• Five months after Review Document received: Guidance letter sent to Labs with review summary, reviewers’ comments, and action items.
• 30 days after Guidance letter is sent: Response from the Lab is due
National Laboratory Program Review National Laboratory Program Review ProceduresProcedures
Review and Selection of Research ProjectsReview and Selection of Research Projectshttp://www.sc.doe.gov/bes/peerreview.htmlhttp://www.sc.doe.gov/bes/peerreview.html