1. BASIC ENERGY SCIENCES -- Serving the Present, Shaping the Future Patricia M. Dehmer Associate Director of Science for Basic Energy Sciences 20 October 2003 Basic Energy Sciences Update http://www.science.doe.gov/bes

2. What’s New?   FY 2004 budget update House Mark is +$8M for facility ops; Senate Mark is at the President’s Request. Awaiting House-Senate conference and then appropriation. Continuing Resolution until 10-31-03 at the FY 2003 level with no new starts.   FY 2005 budget update Embargoed, (but see below)   FY 2006 and beyond budgets Guiding principles and high-priority areas   Preview of new BESAC charges   Comments on recommendations of DMS&E COV   The SEAB study   A little bit more

3. 4 Synchrotron Radiation Light Sources Linac Coherent Light Source (PED) 4 High-Flux Neutron Sources (SNS under construction) 4 Electron Beam Microcharacterization Centers 5 Nanoscale Science Research Centers (PED and construction) 4 Special Purpose Centers Advanced Light Source Stanford Synchrotron Radiation Lab National Synchrotron Light Source Advanced Photon Source National Center for Electron Microscopy Shared Research Equipment Program Center for Microanalysis of Materials Electron Microscopy Center for Materials Research High-Flux Isotope Reactor Intense Pulsed Neutron Source Combustion Research Facility James R. MacDonald Lab Pulse Radiolysis Facility Materials Preparation Center Los Alamos Neutron Science Center Center for Nanophase Materials Sciences Spallation Neutron Source Linac Coherent Light Source Center for Integrated Nanotechnologies Molecular Foundry Center for Nanoscale Materials BES Scientific User Facilities Center for Functional Nanomaterials

4. Center for Nanoscale Materials (Argonne National Laboratory) Center for Nanophase Materials Sciences (Oak Ridge National Laboratory) Molecular Foundry (Lawrence Berkeley National Laboratory) BES National User Facilities for Nanoscale Science Facilities (under Construction) for the Synthesis, Characterization, and Study of Nanoscale Materials Center for Functional Nanomaterials (Brookhaven National Laboratory) Center for Integrated Nanotechnologies (Sandia & Los Alamos National Labs) Center for Nanoscale Materials Sciences (Oak Ridge National Laboratory)

5. The DOE/SC Budget Cycle FY 2004FY 2005FY 2006

6. BES – Where Does the $1 Billion Go? FACILITY OPERATIONS FACILITY OPERATIONS Materials Sciences & Eng. (X-ray and Neutron Scattering Facilities) CONSTRUCTION CONSTRUCTION Scientific User Facilities (the Spallation Neutron Source, 5 Nanoscale Science Research Centers, and the Linac Coherent Light Source) RESEARCH RESEARCH Materials Sciences and Engineering FACILITY OPERATIONS FACILITY OPERATIONS CS,G,B (Combustion Research Facility) SBIR/STTRGPP/GPE ~$1 Billion RESEARCH RESEARCH Chemical Sciences, Geosciences, Biosciences 2002 Appropriation

7. Five Investment Drivers Challenge: Maintain balance among the five hungry beasts, each demanding immediate care and feeding.  Outstanding science  Scientific user facilities and advanced tools for the Nation  Science that addresses the DOE mission  Stewardship of DOE-owned research institutions  Workforce development

8. Challenge: Maintain balance among the five hungry beasts, each demanding immediate care and feeding.  Outstanding science  Scientific user facilities and advanced tools for the Nation  Science that addresses the DOE mission  Stewardship of DOE-owned research institutions  Workforce development Five Investment Drivers Three are special to DOE

9. All BESAC Charges and BES Workshops Address these Areas  Outstanding science in the BES research areas  Scientific user facilities and advanced tools for the Nation  Science that addresses the DOE mission Complex Systems Science for the 21 st Century Plus specialized workshops each year Plus specialized workshops each year, usually with participation of the DOE technology offices

10. All BESAC Charges and BES Workshops Address these Areas  Outstanding science in the BES research areas  Scientific user facilities and advanced tools for the Nation  Science that addresses the DOE mission Complex Systems Science for the 21 st Century Plus specialized workshops each year Plus specialized workshops each year, usually with participation of the DOE technology offices Recent Budget Drivers

11. Current Projections for Outyear Budgets and Implications Challenge: Maintain balance among the five hungry beasts, each demanding immediate care and feeding.  Facts: The surplus has given way to a deficit and There exist significant international financial obligations   “Gloom-and-doom” budget predictions for discretionary spending in FY 05 and beyond (i.e., the same predictions as in most of the recent past years)   Science activities will succeed only if they are: compelling; important; nonredundant; well justified; well managed; nationally and internationally coordinated, as appropriate; supported by the community, the Administration, and the Congress.   It will take a lot of work, considerable luck, and everyone pulling in the same direction to succeed (i.e., the same as in most years). Nothing should be taken for granted.

12. Stewardship of DOE-owned Research Institutions   Vision: The SC labs will be acknowledged by all of their “customers and stakeholders” as indispensable components of the Nation’s scientific infrastructure, seamlessly integrated with academic and other research institutions.   The SC labs are/will be:   Recognized as world class   The steward of large-scale science capabilities serving the entire U.S. science community – a dominant role of the laboratories   Host to tens of thousands of visitors annually   Innovators of big ideas and research constructs, capitalizing on the capabilities of non- academic institutions   Intellectual and business partners with academic institutions in long-term, large-scale, transformational science projects requiring a scale, staff, and infrastructure not available at an academic institution   Cross staffed with academic institutions   Involved in joint long-range planning with academic institutions   Leaders in basic and applied energy and environmental research, frequently in collaboration with academic and other research institutions

13. FY2004 Charges to BESAC 1.Committee of Visitors review of the activities within the new Scientific User Facilities Division with a report to BESAC at the summer or fall 2004 BESAC meeting. 2. BESAC subpanel to consider theory, high-end computing, work-station/cluster computing, and algorithm development as they pertain to the research activities of the BES programs, especially: (a) Identify and assess the major opportunities to advance the research supported by the Basic Energy Sciences program through high-end computing (HEC) and through conventional (workstation and cluster) computing. Summarize recent past and projected future scientific impacts of each. (b) Identify research areas supported by the Basic Energy Sciences program that are now using HEC, are ready to use HEC, or that might benefit from HEC in the near future. Assess the challenges and needs for the use of HEC, e.g., the development of theory, mathematical algorithms, system software, and hardware architectures; the availability of and access to HEC machines and the customization of HEC machines; and the funding requirements.

14. Solvation in supercritical water Combustion turbulence modeling Turbulent flame Waveguide optics Clay-mineral geochemistry Dissociation of ketene Crystal structure for C 36 solid Complex fluids Two spheres mixing in a stream Binary alloy solidification Office of Basic Energy Sciences Harnessing the Power of Advanced Computing for Condensed Matter and Materials Physics, Chemistry, and Biosciences Electric field in a 2D photonic crystal waveguide Cs ion transport Gold nanowire Nanoparticles binding in solution Magnetic moments in materials Na counterion mobility in DNA Uranyl in aqueous solution Vortices in a superfluidSemiconductor-liquid interfaceC-H bond activation reaction Atomic hydrogen ionization 14

15. Issues from Division of Materials Sciences and Engineering COV

17. SEAB Study http://www.seab.energy.gov/publications/FSPFinalDraft.pdf

18. SEAB Study Members

19. SEAB Study Summary of Recommendations

20. Department of Energy Organization FE EM SC RW DP EE/RE NE NN You are here

21. Office of Advanced Scientific Computing Res. Associate Director C. Edward Oliver Office of Basic Energy Sciences Associate Director Patricia Dehmer Office of Biological and Environmental Res Associate Director Aristides Patrinos Office of Fusion Energy Sciences Associate Director N. Anne Davies Office of High Energy and Nuclear Physics Associate Director S. Peter Rosen Director Raymond Orbach Principal Deputy Director James Decker Deputy Director for Operations Milton Johnson You are here “… to foster and support fundamental research to expand the scientific foundations for new and improved, environmentally conscientious energy technologies” “… to plan, construct, and operate major scientific user facilities for the Nation” DOE’s Office of Science

22. Catalysis and Chemical Transformation Separations and Analysis Chemical Energy and Chemical Engineering Heavy Element Chemistry Paul Maupin John Miller Lester Morss Norman Edelstein, LBNL Nicholas Woodward l IPA (Vacant) Geosciences Research Photochemistry & Radiation Research Chemical Physics Computational and Theoretical Chemistry Atomic, Molecular, and Optical Science William Kirchhoff u Frank Tully, SNL Mary Gress Vacant Plant Sciences Biochemistry and Biophysics James Tavares Sharlene Weatherwax William Millman Diane Marceau, Prog. Asst. Molecular Processes and Geosciences Fundamental Interactions Eric Rohlfing Sharon Bowser, Prog. Asst. Energy Biosciences Research James Tavares Patricia Snyder, Prog. Asst. Director's Office Staff October 2003 Patricia Dehmer, Director (Acting) Christie Ashton, Program Analyst Anna Lundy, Secretary Materials Sciences and Engineering Division Materials and Engineering Physics Robert Gottschall Terry Jones, Prog. Asst. Structure & Composition of Materials Mechanical Behavior of Materials & Rad Effects Altaf (Tof) Carim Yok Chen l Michael Kassner, OR State Engineering Research Physical Behavior of Materials Synthesis & Processing Science Harriet Kung Jane Zhu u Darryl Sasaki Timothy Fitzsimmons Condensed Matter Phys and Materials Chemistry X-Ray & Neutron Scat. William Oosterhuis Melanie Becker, Prog. Asst. Experimental Condensed Matter Physics Theoretical Condensed Matter Physics Materials Chemistry & Biomolecular Materials James Horwitz Dale Koelling Dick Kelley Aravinda Kini Experimental Program to Stimulate Competitive Research (EPSCoR) Matesh Varma X-ray & Neutron Scattering Helen Kerch Scientific User Facilities Division Patricia Dehmer, Director Mary Jo Martin, Administrative Specialist Office of Basic Energy Sciences u David Ederer Patricia Dehmer, Director (Acting) Support Staff (Vacant) Spallation Neutron Source (Construction) Jeffrey Hoy X-ray & Neutron Scattering Facilities Pedro Montano Vacant Nanoscale Science Research Centers (Construction) Kristin Bennett Altaf (Tof) Carim Linac Coherent Light Source (Construction) Jeffrey Hoy SNS, LCLS, and X-ray&Neutron Scattering Instrument MIEs Kristin Bennett Chemical Sciences, Geosciences, and Biosciences Division Walter Stevens, Director Karen Talamini, Program Analyst Sharon Snead, Secretary Robert Astheimer F. Don Freeburn Stanley Staten Sharon Long Margie Marrow (Effective 11/03) l IPA u Detailee Detailee, 1/4 time, not at HQ Raul Miranda u John Gordon, LANL

23. Catalysis and Chemical Transformation Separations and Analysis Chemical Energy and Chemical Engineering Heavy Element Chemistry Paul Maupin John Miller Lester Morss Norman Edelstein, LBNL Nicholas Woodward l IPA (Vacant) Geosciences Research Photochemistry & Radiation Research Chemical Physics Computational and Theoretical Chemistry Atomic, Molecular, and Optical Science William Kirchhoff u Frank Tully, SNL Mary Gress Vacant Plant Sciences Biochemistry and Biophysics James Tavares Sharlene Weatherwax William Millman Diane Marceau, Prog. Asst. Molecular Processes and Geosciences Fundamental Interactions Eric Rohlfing Sharon Bowser, Prog. Asst. Energy Biosciences Research James Tavares Patricia Snyder, Prog. Asst. Director's Office Staff October 2003 Patricia Dehmer, Director (Acting) Christie Ashton, Program Analyst Anna Lundy, Secretary Materials Sciences and Engineering Division Materials and Engineering Physics Robert Gottschall Terry Jones, Prog. Asst. Structure & Composition of Materials Mechanical Behavior of Materials & Rad Effects Altaf (Tof) Carim Yok Chen l Michael Kassner, OR State Engineering Research Physical Behavior of Materials Synthesis & Processing Science Harriet Kung Jane Zhu u Darryl Sasaki Timothy Fitzsimmons Condensed Matter Phys and Materials Chemistry X-Ray & Neutron Scat. William Oosterhuis Melanie Becker, Prog. Asst. Experimental Condensed Matter Physics Theoretical Condensed Matter Physics Materials Chemistry & Biomolecular Materials James Horwitz Dale Koelling Dick Kelley Aravinda Kini Experimental Program to Stimulate Competitive Research (EPSCoR) Matesh Varma X-ray & Neutron Scattering Helen Kerch Scientific User Facilities Division Patricia Dehmer, Director Mary Jo Martin, Administrative Specialist Office of Basic Energy Sciences u David Ederer Patricia Dehmer, Director (Acting) Support Staff (Vacant) Spallation Neutron Source (Construction) Jeffrey Hoy X-ray & Neutron Scattering Facilities Pedro Montano Vacant Nanoscale Science Research Centers (Construction) Kristin Bennett Altaf (Tof) Carim Linac Coherent Light Source (Construction) Jeffrey Hoy SNS, LCLS, and X-ray&Neutron Scattering Instrument MIEs Kristin Bennett You could be here Chemical Sciences, Geosciences, and Biosciences Division Walter Stevens, Director Karen Talamini, Program Analyst Sharon Snead, Secretary Robert Astheimer F. Don Freeburn Stanley Staten Sharon Long Margie Marrow (Effective 11/03) l IPA u Detailee Detailee, 1/4 time, not at HQ Raul Miranda u John Gordon, LANL

24. Catalysis and Chemical Transformation Separations and Analysis Chemical Energy and Chemical Engineering Heavy Element Chemistry Paul Maupin John Miller Lester Morss Norman Edelstein, LBNL Nicholas Woodward l IPA (Vacant) Geosciences Research Photochemistry & Radiation Research Chemical Physics Computational and Theoretical Chemistry Atomic, Molecular, and Optical Science William Kirchhoff u Frank Tully, SNL Mary Gress Vacant Plant Sciences Biochemistry and Biophysics James Tavares Sharlene Weatherwax William Millman Diane Marceau, Prog. Asst. Molecular Processes and Geosciences Fundamental Interactions Eric Rohlfing Sharon Bowser, Prog. Asst. Energy Biosciences Research James Tavares Patricia Snyder, Prog. Asst. Director's Office Staff October 2003 Patricia Dehmer, Director (Acting) Christie Ashton, Program Analyst Anna Lundy, Secretary Materials Sciences and Engineering Division Materials and Engineering Physics Robert Gottschall Terry Jones, Prog. Asst. Structure & Composition of Materials Mechanical Behavior of Materials & Rad Effects Altaf (Tof) Carim Yok Chen l Michael Kassner, OR State Engineering Research Physical Behavior of Materials Synthesis & Processing Science Harriet Kung Jane Zhu u Darryl Sasaki Timothy Fitzsimmons Condensed Matter Phys and Materials Chemistry X-Ray & Neutron Scat. William Oosterhuis Melanie Becker, Prog. Asst. Experimental Condensed Matter Physics Theoretical Condensed Matter Physics Materials Chemistry & Biomolecular Materials James Horwitz Dale Koelling Dick Kelley Aravinda Kini Experimental Program to Stimulate Competitive Research (EPSCoR) Matesh Varma X-ray & Neutron Scattering Helen Kerch Scientific User Facilities Division Patricia Dehmer, Director Mary Jo Martin, Administrative Specialist Office of Basic Energy Sciences u David Ederer Patricia Dehmer, Director (Acting) Support Staff (Vacant) Spallation Neutron Source (Construction) Jeffrey Hoy X-ray & Neutron Scattering Facilities Pedro Montano Vacant Nanoscale Science Research Centers (Construction) Kristin Bennett Altaf (Tof) Carim Linac Coherent Light Source (Construction) Jeffrey Hoy SNS, LCLS, and X-ray&Neutron Scattering Instrument MIEs Kristin Bennett You could be here Or here Chemical Sciences, Geosciences, and Biosciences Division Walter Stevens, Director Karen Talamini, Program Analyst Sharon Snead, Secretary Robert Astheimer F. Don Freeburn Stanley Staten Sharon Long Margie Marrow (Effective 11/03) l IPA u Detailee Detailee, 1/4 time, not at HQ Raul Miranda u John Gordon, LANL

25. Catalysis and Chemical Transformation Separations and Analysis Chemical Energy and Chemical Engineering Heavy Element Chemistry Paul Maupin John Miller Lester Morss Norman Edelstein, LBNL Nicholas Woodward l IPA (Vacant) Geosciences Research Photochemistry & Radiation Research Chemical Physics Computational and Theoretical Chemistry Atomic, Molecular, and Optical Science William Kirchhoff u Frank Tully, SNL Mary Gress Vacant Plant Sciences Biochemistry and Biophysics James Tavares Sharlene Weatherwax William Millman Diane Marceau, Prog. Asst. Molecular Processes and Geosciences Fundamental Interactions Eric Rohlfing Sharon Bowser, Prog. Asst. Energy Biosciences Research James Tavares Patricia Snyder, Prog. Asst. Director's Office Staff October 2003 Patricia Dehmer, Director (Acting) Christie Ashton, Program Analyst Anna Lundy, Secretary Materials Sciences and Engineering Division Materials and Engineering Physics Robert Gottschall Terry Jones, Prog. Asst. Structure & Composition of Materials Mechanical Behavior of Materials & Rad Effects Altaf (Tof) Carim Yok Chen l Michael Kassner, OR State Engineering Research Physical Behavior of Materials Synthesis & Processing Science Harriet Kung Jane Zhu u Darryl Sasaki Timothy Fitzsimmons Condensed Matter Phys and Materials Chemistry X-Ray & Neutron Scat. William Oosterhuis Melanie Becker, Prog. Asst. Experimental Condensed Matter Physics Theoretical Condensed Matter Physics Materials Chemistry & Biomolecular Materials James Horwitz Dale Koelling Dick Kelley Aravinda Kini Experimental Program to Stimulate Competitive Research (EPSCoR) Matesh Varma X-ray & Neutron Scattering Helen Kerch Scientific User Facilities Division Patricia Dehmer, Director Mary Jo Martin, Administrative Specialist Office of Basic Energy Sciences u David Ederer Patricia Dehmer, Director (Acting) Support Staff (Vacant) Spallation Neutron Source (Construction) Jeffrey Hoy X-ray & Neutron Scattering Facilities Pedro Montano Vacant Nanoscale Science Research Centers (Construction) Kristin Bennett Altaf (Tof) Carim Linac Coherent Light Source (Construction) Jeffrey Hoy SNS, LCLS, and X-ray&Neutron Scattering Instrument MIEs Kristin Bennett You could be here Or here Chemical Sciences, Geosciences, and Biosciences Division Walter Stevens, Director Karen Talamini, Program Analyst Sharon Snead, Secretary Robert Astheimer F. Don Freeburn Stanley Staten Sharon Long Margie Marrow (Effective 11/03) l IPA u Detailee Detailee, 1/4 time, not at HQ Raul Miranda u John Gordon, LANL