# Presentation: 753054

## BESAC

**News from**
**Chemical Sciences, Geosciences**
**and Biosciences Division**
**November 5, 2002**
**Walter J. Stevens**
**Director**

***E-mail: walter.stevens@science.doe.gov***

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

## Slide 2

## Division Staffing Update

**New Permanent Technical Staff**
**	**Dr. John Miller    	- Separations & Analysis
- 	Dr. Lester Morss	- Heavy Element
**Continuing Temporary Technical Staff**
**	**Dr. Roger Turpening	- Geophysics (MTU)
**	**Dr. Julie d’Itri 	- Catalysis (Pitt)
- 	Dr. Frank Tully	- Chemical Phys. (SNL-CA)
**Departing Temporary Technical Staff**
**	**Dr. Henry Shaw (Oct)	- HEC/S&A (LLNL)
**Open Positions**
- 	Procurement Technician
- 	Program Director for Computational and Theoretical Chemistry
- 	Detailee for Condensed Phase Chemical Physics
- 	Detailee for Electrochemistry

## Basic Energy Sciences

- 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 Sciences***

## The FY 2003 Budget Provided Increases for Research ...

**    ****Photochemistry and Radiation Research **

** ****Catalysis and Chemical Transformation **

**    ****Separations and Analyses **

**    ****Heavy Element Chemistry **

**26,298**

**25,464**

**14,393**

**8,154**

**26,064**

**24,779**

**12,967**

**7,637**

**29,163**

**31,333**

**14,407**

**8,637**

**3,099**

**6,554**

**1,440**

**1,000**

**FY 2001**

**FY 2002**

**FY 2003**

**$Change**

**(dollars in thousands)**

## FY2003 Budget Request

## New Solicitations in FY 2002

***New 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 

***Theory and Modeling in Nanoscience ***

**May 10 -11, 2002**
**San Francisco, California **

_**Organizing Committee**_
**Bill McCurdy, **Co-Chair and BESAC Representative, LBNL
**Ellen Stechel, **Co-Chair and ASCAC Representative, Ford Motor Company
**Peter Cummings, **The University of Tennessee
**Bruce Hendrickson, **Sandia National Laboratories
**David 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 FY2003***

## BESAC Subpanel Workshop on 

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

**Chairman: Mike White, University of Texas**

**Gaithersburg, Maryland****May 14 – 16, 2002**

**Ten Breakout Sessions**

- 1.    Catalysis design driven by fundamental research
- 2.    Linking basic research to applications through collaborations
- 3.    Biocatalysis
- 4.    Homogeneous catalysis
- 5.    National facilities—photons, neutrons and end stations
- 6.    Spatially resolved and atom specific microscopy and spectrosocopy
- 7.    Tuning reactivity by tailoring nanostructures
- 8.    Theory, modeling and simulation
- 9.    Dynamics and kinetics
- 10.  Synthesis of nanostructured materials for catalytic applications

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

## The new chemistry:  

***Opportunities for Catalysis Science in the 21******st****** 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:******  ***
***Controlling chemical reactivity with designer catalysts***

## Planned Solicitation in FY2003

**Designing 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 FY2003***

## CSGB Workshop on Water and Radiation Chemistry

**Richland, Washington**
**September 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 On

***Basic Research Needs to Counter Terrorism***

**February 28 – March 1, 2002**
**Gaithersburg, Maryland**

_**Workshop Chair**_**  **Terry Michalske, SNL

## FOCUS AREAS

_**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 AREAS**
***Scientific issues underlying the detection, containment, sampling, analysis, decontamination, and destruction of:***

***BES Workshop On***
***Basic Research Needs to Counter Terrorism***

## Proposed 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 DHS

***Agencies Affected by the Creation of DHS***

## Office of Science and Homeland Security

**Dr. Harvey Drucker**
**Associate Laboratory Director**
**Argonne National Laboratory**
**Dr. Michael Kluse**
**Associate Laboratory Director**
**Pacific Northwest National Laboratory**
**Dr. Michael A. Kuliasha, **
**Program Director for Homeland Security**
**Oak Ridge National Laboratory**
**Dr. Lawrence Barletta**
**Coordinating Director, LBNL Homeland Security**
**Lawrence Berkeley National Laboratory**
**Mr. Paul Moskowitz**
**Division Head, National Security and Counterterrorism**
**Brookhaven National Laboratory**

**Mr. Lewis D. Meixler**
**Head of Applications Research and Technology Transfer**
**Princeton Plasma Physics Laboratory**
**Dr. Fred Dylla**
**Free Electron Laser Program Manager **
**Thomas Jefferson National Accelerator Laboratory**
**Mr. Jerry Jobe**
**Associate Director for Business Services**
**Stanford Linear Accelerator Center**
**Bruce Chrisman**
**Associate Director for Administration**
**Fermi National Accelerator Laboratory**
**Dr. David Baldwin**
**Program Director for Environmental and Protection Sciences**
**Ames Laboratory**

**National Laboratory Contacts**

## New Nobel Prize

***New Nobel Prize***

**Supported by AEC Chemistry Office**

## The Future

_**Planned Workshops**_
- 	**Plant Systems Biology**
- 		*UC Riverside, 1/2002 (planning)*
*	**	**DC Area, Spring 2003*
- 	**Electrochemistry**
**	****	***TBD*

## The Future

_**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*

## The Future

- 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*

***The Future***