division of chemical sciences, geosciences & biosciences besac news from chemical sciences,...

Division of Chemical Sciences, Geosciences & Biosciences

BESACBESAC

News fromChemical Sciences, Geosciences

and Biosciences Division

November 5, 2002

Walter J. StevensDirector

E-mail: [email protected]

Division website: http://www.sc.doe.gov/production/bes/chm/chmhome.html


Chemical Sciences, Geosciences, and Biosciences Division

Walter J. Stevens, DirectorKaren Talamini, Program Analyst

Carolyn Dorsey, Secretary

William MillmanVacant, Proc. Tech.

Molecular Processes and Geosciences

Fundamental InteractionsAllan Laufer

Sharon Bowser, Proc. Tech.

Energy Biosciences Research

Gregory DilworthPatricia Snyder, Proc. Tech.

Catalysis and Chemical Transformation

Separations and Analysis

Chemical Energy andChemical Engineering

Heavy Element Chemistry

Raul Miranda Julie d'Itri, U. Pittsburgh

Paul MaupinVacant

John Miller

Lester Morss Norman Edelstein, LBNL

Nicholas WoodwardRoger Turpening, MTU

Geosciences Research

Photochemistry & Radiation Research

Chemical Physics

Atomic, Molecular, and Optical Science

Facility Operations

Eric Rohlfing

William KirchhoffFrank Tully, SNL Vacant

Mary Gress

William MillmanWilliam Kirchhoff

Plant Sciences

Biochemistry and Biophysics

Gregory DilworthJames Tavares

Sharlene Weatherwax

Theoretical and ComputationalChemistryVacant

Detailee

Detailee (1/4 time)

IPA


Division Staffing UpdateDivision Staffing Update

New Permanent Technical StaffDr. John Miller - Separations & AnalysisDr. Lester Morss - Heavy Element

Continuing Temporary Technical StaffDr. Roger Turpening - Geophysics (MTU)Dr. Julie d’Itri - Catalysis (Pitt)Dr. Frank Tully - Chemical Phys. (SNL-CA)

Departing Temporary Technical StaffDr. Henry Shaw (Oct) - HEC/S&A (LLNL)

Open PositionsProcurement TechnicianProgram Director for Computational and Theoretical ChemistryDetailee for Condensed Phase Chemical PhysicsDetailee for Electrochemistry


• Fundamental research in condensed matter physics and materials sciences, chemistry, geosciences, biosciences relating to energy, and engineering

• Major scientific user facilities including 4 synchrotron light sources, 3 neutron sources, 4 electron beam micro-characterization facilities, and 4 specialized facilities.

• $1.4B Spallation Neutron Source under construction

Basic Energy SciencesBasic Energy Sciences

MaterialsMaterialsSciencesSciences

andandEngineeringEngineering

$547.9M$547.9M

Chemical Sciences, Geosciences and

Biosciences$220.1M

ConstructionConstruction$251.6M$251.6M

BES FY03 Budget RequestBES FY03 Budget RequestTotal $1,019.6M


The FY 2003 Budget Provided Increases for Research …The FY 2003 Budget Provided Increases for Research …

Photochemistry and Radiation Research

Catalysis and Chemical Transformation

Separations and Analyses Heavy Element Chemistry

26,29825,464

14,3938,154

26,06424,779

12,9677,637

29,16331,333

14,4078,637

3,0996,554

1,4401,000

FY 2001 FY 2002 FY 2003 $Change

(dollars in thousands)


FY2003 Budget RequestFY2003 Budget Request

AMO Science

Chemical Physics

Photochemistry & Radiation Research

Biosciences

Catalysis & Chemical Transformations

Separations & Analysis

Heavy Element Chemistry Geosciences

Chemical Energy & Chemical Engineering

GPP

GPE

Facilities

SBIR


New Solicitations in FY 2002New Solicitations in FY 2002

Nanoscale Science, Engineering, and Technology

Universities ($10.1M awarded)• 532 preapplications received; 194 encouraged; 341 formal

applications• 19 grants totaling $5.3M funded from Chemical Sciences,

Geosciences and Biosciences Division• 27 grants totaling $4.8M funded from Materials Sciences &

Engineering Division

DOE Laboratories ($7.9M awarded) Submissions were restricted to 4 proposals per laboratory

• 37 proposals received• 12 awards funded, with most receiving partial funding


BESAC/ASCAC Subpanel Workshop on BESAC/ASCAC Subpanel Workshop on Theory and Modeling in Nanoscience Theory and Modeling in Nanoscience

May 10 -11, 2002San Francisco, California

Organizing Committee

Bill McCurdy, Co-Chair and BESAC Representative, LBNLEllen Stechel, Co-Chair and ASCAC Representative, Ford Motor CompanyPeter Cummings, The University of TennesseeBruce Hendrickson, Sandia National LaboratoriesDavid Keyes, Old Dominion University

Purpose

Identify the challenges and opportunities for theory, modeling and simulation in nanoscience and nanotechnology.

Investigate the role of applied mathematics and computer science in meeting those challenges.


Theory and Modeling in Nanoscience (joint with Advanced Scientific Computing Research)

$3.0M from ASCR $1.5M from Materials Science and Engineering $1.5M from Chemical Sciences, Geosciences, and Biosciences

Collaborative projects between applied mathematicians and computational scientists to advance our ability to predict the structure and properties of nanoscale materials, and to understand the relationships between properties and composition, structure, and size.

Planned Solicitation in FY2003Planned Solicitation in FY2003


BESAC Subpanel Workshop on BESAC Subpanel Workshop on Opportunities for Catalysis Science in the 21st CenturyOpportunities for Catalysis Science in the 21st Century

Chairman: Mike White, University of Texas

Gaithersburg, MarylandMay 14 – 16, 2002

Ten Breakout Sessions

1. Catalysis design driven by fundamental research2. Linking basic research to applications through collaborations3. Biocatalysis4. Homogeneous catalysis5. National facilities—photons, neutrons and end stations6. Spatially resolved and atom specific microscopy and spectrosocopy7. Tuning reactivity by tailoring nanostructures8. Theory, modeling and simulation9. Dynamics and kinetics10. Synthesis of nanostructured materials for catalytic applications

Plenary Presentationshttp://www.sc.doe.gov/production/bes/BESAC/PPT05-14-16-02.htmMike White’s Presentation to BESAC:http://www.sc.doe.gov/production/bes/BESAC/BESACWhite07-22-02.ppt

Opportunities for Catalysis Science in the 21Opportunities for Catalysis Science in the 21stst Century Century

“BESAC recommends” … the creation of new and innovative approaches to research in catalysis with the following characteristics: multiple investigator, multi-institutional teams presenting novel

approaches to integrating the various aspects of catalysis (heterogeneous, homogeneous and biological);

the integration of catalytic research with advanced experimental techniques, theory and modeling, and advanced approaches to synthesis (including areas such as combinatorial chemistry) and nano-fabrication;

participation by investigators outside of the conventional catalysis arena;

interaction with the DOE Nanoscale Science Research Centers and the national user facilities;

methods such as virtual access to enhance involvement of students from other institutions and industrial users from throughout the country;

cognizance and mitigation of the barriers to the implementation of new understanding and new processes in real world applications of catalysis.

The new chemistry:The new chemistry: Controlling chemical reactivity with designer catalystsControlling chemical reactivity with designer catalysts

11


Catalysis ScienceDesigning and Controlling Chemical Reactivity

$6.5M from Chemical Sciences, Geosciences, and Biosciences

Multidisciplinary projects aimed at understanding and controlling catalysis at the molecular level. Synthesis, structure, kinetics, dynamics, and structure/function relationships. New tools, new theories and models, new approaches.

Planned Solicitation in FY2003Planned Solicitation in FY2003


CSGB Workshop on Water and Radiation ChemistryCSGB Workshop on Water and Radiation Chemistry

Richland, WashingtonSeptember 25-28, 2002

Understanding the Role of Water on Electron-Initiated Processes and Radical Chemistry

Goal: to identify both the important questions in electron-driven processes and radical chemistry in aqueous systems and the most promising approaches to solving these problems.

50 Participants

http://www.pnl.gov/waterworkshop/

Workshop report will be submitted to the Journal of Physical Chemistry B


BES Workshop OnBES Workshop OnBasic Research Needs to Counter TerrorismBasic Research Needs to Counter Terrorism

February 28 – March 1, 2002Gaithersburg, Maryland

Identify critical science issues and opportunities in research areas supported by BES that will be important to our Nation's ability to detect, prevent, protect against, and respond to future terrorist threats.

Objective

A report is available that summarizes the presentations and discussions and includes recommendations for future basic research investment needs. http://www.sc.doe.gov/production/bes/counterterrorism.html

Outcome

Walter J. StevensBES Lead

Workshop Chair Terry Michalske, SNL

Jay Davis, National Security Fellow, LLNL and former Director, Defense Threats Reduction Agency

Keynote Speaker


Chemical Threats

Biological Threats

Radiological and Nuclear Threats

Including conventional explosives and toxic chemicals such as choking agents, blood agents, blister agents, nerve agents, and byproducts of their manufacture.

Including bacteria, rickettsiae, viruses, fungi, and toxins. Gram for gram much more deadly than chemical agents. Can be bioengineered.

Including nuclear explosives and radioactive materials and byproducts of their manufacture.

FOCUS AREASScientific issues underlying the detection, containment,

sampling, analysis, decontamination, and destruction of:

BES Workshop OnBES Workshop OnBasic Research Needs to Counter TerrorismBasic Research Needs to Counter Terrorism


Proposed Department of Homeland SecurityProposed Department of Homeland Security

Proposed Research Structure• Intramural Research (mostly classified) at DOE National Labs

• Extramural Research (mostly unclassified; management?)

• Security Advanced Research Projects Agency (SARPA)

• Measurement Standards (with NIST?)

Impact on DOE• Some parts of DOE transferred to DHS

Nuclear anti-smuggling

Chemical and biological non-proliferation

Pathogen sequencing

• DHS access to DOE National Laboratories

Work for others or joint sponsorship?

The President has proposed the creation of the Department of Homeland Security. This will be the most significant transformation of the U.S. government in over a half-century. The creation of this cabinet-level agency is an important step in the President's national strategy for homeland security.


Agencies Affected by the Creation of DHSAgencies Affected by the Creation of DHS


Office of Science and Homeland SecurityOffice of Science and Homeland Security

Dr. Harvey DruckerAssociate Laboratory DirectorArgonne National Laboratory

Dr. Michael KluseAssociate Laboratory DirectorPacific Northwest National Laboratory

Dr. Michael A. Kuliasha, Program Director for Homeland SecurityOak Ridge National Laboratory

Dr. Lawrence BarlettaCoordinating Director, LBNL Homeland SecurityLawrence Berkeley National Laboratory

Mr. Paul MoskowitzDivision Head, National Security and CounterterrorismBrookhaven National Laboratory

Mr. Lewis D. MeixlerHead of Applications Research and Technology TransferPrinceton Plasma Physics Laboratory

Dr. Fred DyllaFree Electron Laser Program Manager Thomas Jefferson National Accelerator Laboratory

Mr. Jerry JobeAssociate Director for Business ServicesStanford Linear Accelerator Center

Bruce ChrismanAssociate Director for AdministrationFermi National Accelerator Laboratory

Dr. David BaldwinProgram Director for Environmental and Protection SciencesAmes Laboratory

National Laboratory Contacts


New Nobel PrizeNew Nobel Prize

Supported by AEC Chemistry Office


The FutureThe Future

Planned Workshops

Plant Systems Biology

UC Riverside, 1/2002 (planning)

DC Area, Spring 2003

Electrochemistry

TBD



Near Term

New hire in computational chemistry and modeling.• SciDAC Program• Elements of Chemical Physics• Elements of Photochemistry and Radiation Research

Expand catalysis research.• $6.5M Solicitation in Catalysis Science• Utilize nanoscale science capabilities


Long Term

Increased emphasis on the interface between the physical and biological sciences.

• Plant systems biology

Increased emphasis on computational science and simulation as a tool for scientific discovery.

• $6.0M Solicitation in Theory and Modeling in Nanoscale Science

• Broad impact on all Division programs


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