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Office of Basic Energy Sciences Office of Science U.S. Department of Energy. BASIC ENERGY SCIENCES -- Serving the Present, Shaping the Future. Basic Energy Sciences Update. Dr. Harriet Kung Director, Office of Basic Energy Sciences (Acting) Office of Science U.S. Department of Energy

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Basic energy sciences serving the present shaping the future

Office of Basic Energy SciencesOffice of ScienceU.S. Department of Energy

BASIC ENERGY SCIENCES -- Serving the Present, Shaping the Future

Basic Energy Sciences Update

Dr. Harriet Kung

Director, Office of Basic Energy Sciences (Acting)

Office of Science

U.S. Department of Energy

21 February 2008

http://www.sc.doe.gov/bes/


Today besac february 21 2008

TODAY: BESAC – February 21, 2008

Execution of the FY 2008 budget

FY 2009 budget request

Looking Forward: Tackling Our Energy Challenges in a New Era of Science


Basic energy sciences serving the present shaping the future

Department of Energy

Office of the Under Secretary for Science

Dr. Raymond L. Orbach

Under Secretary for Science

EERE

EM

FE

BES

NE

OE

FY 2008 budget $1.27 B

RW

LM


Basic energy sciences serving the present shaping the future

Budget Request (shaded)

vs. Appropriation (solid)

5

4

3

2

Budget (in $B)

1

0

Energy

Science

Energy

Science

FY 2007

FY 2008

Department of Energy Funding

Red: Energy (EERE, NE, FE & OE)

Blue: Office of Science

5

4

3

Appropriations (in $B)

2

1

0

FY2005

FY2006

FY2007

FY2008

Data from DOE CF-30, http://www.mbe.doe.gov/crOrg/cf30.htm


The fy 2008 congressional budget appropriations for office of science

-15.3%

-11.4%

-228,595

-503,788

The FY 2008 Congressional Budget Appropriations for Office of Science


Basic energy sciences serving the present shaping the future

Impacts of FY 2008 Appropriations to BES Programs

Research:

  • Over 700 proposals in response to BES initiatives in solar energy utilization, hydrogen research, advanced nuclear energy systems, and mid-scale instrumentation were received. Only 40 awards were made in FY 07; the remaining proposals have been declined. Approximately 250 new awards were anticipated under the BES FY 08 budget request.

  • Core research in FY 08 will be approximately flat funded with FY 07, resulting in reductions in effort due to inflation.

    Facilities Operations:

  • The operations of the Intense Pulsed Neutron Source at Argonne National Laboratory have been permanently terminated, and the facility is being placed in shut down mode.

  • The operations of all remaining BES user facilities – the synchrotron radiation light sources, the neutron scattering facilities, the electron beam microcharacterization centers, and the nanoscale science research centers – are flat funded with FY 07, resulting in reduced hours of operation reduced service to users, possible staff layoffs, and other actions to mitigate the funding levels.

    Constructions:

  • The National Synchrotron Light Source-II at BNL is funded at a level that is 33% below the budget request.

  • The Advanced Light Source User Support Building at LBNL is funded at a level 70% below the budget request, resulting in more than one year delay and several million dollars cost increases

  • Major instrumentation fabrication projects for the Spallation Neutron Source at ORNL and Linac Coherent Light Source at SLAC are funded at a level 40% below the respective budget requests.


Basic energy sciences serving the present shaping the future

None

None

None

None

Results of FY 2007 Solicitations


Basic energy sciences serving the present shaping the future

A Retrospective View of A Remarkable Journey-

Defining the Science Directions

Basic Research Needs To Assure A Secure Energy Future

Current projections estimate that the energy needs of the world will more than double by the year 2050. This is coupled with increasing demands for “clean” energy—sources of energy that do not add to the already high levels of carbon dioxide and other pollutants in the environment. These enormous challenges cannot be fully met by existing technologies, and scientific breakthroughs will be required to provide reliable, economic solutions for our future energy security

This seminal workshop report indentified the broad basic research directions that will help provide the major scientific discoveries necessary for major technological changes in the largest industries in the world—those responsible for energy production and use.

The findings of this 2003 report gave birth to a series of ten follow-on Basic Research Needs workshops over the next five years, which together attracted more than 1,500 participants from universities, industry, and Department of Energy laboratories. These reports provide in-depth analyses on how the work of the scientific community can further our Nation’s most challenging energy missions.

BESAC Basic Research Needs to Assure A Secure Energy Future Report

February 2003


Basic energy sciences serving the present shaping the future

Basic Research Needs Workshops:

Help Define Research Directions and Provide the Links to Societal Needs

  • Basic Research Needs for a Secure Energy Future (BESAC)

  • Basic Research Needs for the Hydrogen Economy

  • Basic Research Needs for Solar Energy Utilization

  • Basic Research Needs for Superconductivity

  • Basic Research Needs for Solid State Lighting

  • Basic Research Needs for Advanced Nuclear Energy Systems

  • Basic Research Needs for the Clean and Efficient Combustion of 21st Century Transportation Fuels

  • Basic Research Needs for Geosciences: Facilitating 21st Century Energy Systems

  • Basic Research Needs for Electrical Energy Storage

  • Basic Research Needs for Materials under Extreme Environments

  • Basic Research Needs for Catalysis for Energy Applications

Full reports released since the last BESAC meeting in 09/07


Basic energy sciences serving the present shaping the future

Electrical Energy Storage

The projected doubling of world energy consumption within the next 50 years, coupled with the growing demand for low- or even zero-emission sources of energy, has brought increasing awareness of the need for efficient, clean, and renewable energy sources. Energy based on electricity generated from renewable sources, such as solar or wind, offer enormous potential for meeting future energy demands. However, practical use of large scale solar- or wind-based electrical generation requires electrical energy storage (EES) systems to level their cyclic nature. In addition, greatly improved EES systems are needed to replace today’s hybrid electric vehicles with plug-in hybrids or all-electric vehicles.

The discovery of novel nanoscale materials with architectures tailored for specific performance offer particularly exciting possibilities for the development of revolutionary three-dimensional architectures that simultaneously optimize ion and electron transport and capacity. New capabilities are also needed to “observe” the dynamic composition and structureat an electrode surface, in real time, during charge transport and transfer processes. New in situ photon- and particle-based microscopic, spectroscopic and scattering techniques with time resolution down to the femtosecond range and spatial resolution spanning the atomic and mesoscopic scales are needed to meet this challenge. Research to formulate a predictive knowledge of structural and functional relationships based upon multiscale integrating theory-based methods at different time and length scales can effectively complement experimental efforts to provide insight into mechanisms, predict trends and identify new materials.

BES Basic Research Needs for Electrical Energy Storage Report

September 2007


Basic energy sciences serving the present shaping the future

Catalysis for Energy

As the domestic reserves of petroleum and natural gas decline, the volumes of imported fuels grow, and the environmental impacts resulting from fossil fuel combustion become severe, our nation must earnestly reassess our future chemical energy sources. Catalysis—the essential technology for accelerating and directing chemical transformation—is key to realizing environmentally friendly, efficient and economical processes for the conversion of fossil and renewable or alternative energy feedstocks.

The workshop examined basic research needs to maximize the potential for new catalytic discoveries in three specific areas according to source: bio-derived chemicals, heavy fossil-derived chemicals, and end-product (such as carbon dioxide and water) reconversion. The grand challenge identified at the core of all of these areas was to achievedetailed mechanistic understanding of catalytic dynamics for complex heavy molecular mixtures, bio-derived species, and solid nanostructures and interfaces. Such understanding would allow scientists to build effective catalysts with atom-by-atom precision and convert complex reactants to energy-storing products with molecular precision. The means to resolve this challenge is several-fold: creating new and expanding existing fundamental theories of chemical kinetics that effectively take into account the dynamics and statistical fluctuations of structurally complex and diverse feedstocks; creating and advancing instrumentation that permit real-time high-resolution chemical imaging of reacting species and catalysts; synthesizing new and more complex catalyst structures that exploit multifunctionality and versatility in order to guide reactions through highly selective pathways.

BES Basic Research Needs in Catalysis for Energy Applications

January 2008


Basic energy sciences serving the present shaping the future

Materials under Extreme Environments

Materials are recognized as being central to every energy technology, and future energy technologies will place increasing demands on materials performance with respect to extremes in stress, strain, temperature, pressure, chemical reactivity, photon or radiation flux, and electric or magnetic fields. Hence, it is not surprising that the failure of materials is a principal bottleneck for developing future energy technologies. New fundamental research of materials under extreme conditions will have a major impact on the development of numerous integrated technologies that can meet future requirements for abundant, affordable, and clean energy.

Reaching the intrinsic limit of materials performance is a key challenge, and solutions to this challenge require new understanding regarding the most fundamental atomic and molecular origins of material failure. In particular, ultra-high spatial and ultrafast temporal resolution characterization tools are needed to observe and follow the initiation and evolution of atomic-scale to cascading macroscale damage events. Complementary advanced computational capabilities to simulate and predict multiscale damage from atomic to macroscopic dimensions are also needed. Such new understanding of damage and failure will underpin research to discover how atomic and molecular structures could be manipulated in a predicable manner to enable development of new materials having an extraordinary tolerance to function within an extreme environment without property degradation, or even with the ability for self-repair.

BES Basic Research Needs for Materials under Extreme Environments Report

February 2008


Basic energy sciences serving the present shaping the future

Research for a Secure Energy Future

Supply, Carbon Management, Distribution, Consumption

Decision Science and Complex Systems Science

Nuclear Fission

Coal

Electricity Production & Grid

Transportation

CO2 Sequestration

Nuclear Fusion

Geologic

Petroleum

Buildings

Electric Storage

Renewables

Terrestrial

Hydrogen

Industry

Natural Gas

Oceanic

Hydropower

Carbon Recycle

Alternate Fuels

Oil shale, tar sands, hydrates,…

Biomass

Geothermal

Global Climate Change Science

Wind

BRNs completed

Solar

Crosscutting – catalysis

Ocean

Crosscutting – materials under extreme conditions

BRN Workshops Address Many Elements Required for a Decades-to-Century Energy Security Strategy

Distribution/Storage

Energy Consumption

Carbon Energy Sources

Carbon Management

No-net-carbon Energy Sources

Energy Conservation, Energy Efficiency, and Environmental Stewardship


Basic energy sciences serving the present shaping the future

Topical Grand Challenges- From the BRN Workshops

  • New materials & functionalities discovery, design, development, and fabrication, especially materials that perform well under extreme conditions

  • Science at the nanoscale, especially low-dimensional systems that promise materials with new and novel properties

  • Methods to“control” photon, electron, ion, and phonon transport in materials for next-generation energy technologies

  • Structure-function relationshipsin both living and non-living systems

  • Designer catalysts

  • Interfacial science and designer membranes

  • Bio-materials and bio-interfaces, especially at the nanoscale where soft matter and hard matter can be joined

  • New tools for:

    • Spatial characterization, especially at the atomic and nanoscales and especially for in-situ studies

    • Temporal characterization for studying the time evolution of processes

    • Theory and computation

    • Synthesis, crystal growth


Directing matter and energy a new era of science

Directing Matter and Energy: A New Era of Science

Together, these workshop reports highlighted the remarkable scientific journey that has taken place during the past few decades. The resulting scientific challenges, which no longer were discussed in terms of traditional scientific disciplines, described a new era of science – an era in which materials functionalities are designed to specifications and chemical transformations are manipulated at will.

  • How do we control materials processes at the level of electrons?

  • How do we design and perfect atom- and energy-efficient syntheses of revolutionary new forms of matter with tailored properties?

  • How do remarkable properties of matter emerge from the complex correlations of atomic or electronic constituents and how can we control these properties?

  • How can we master energy and information on the nanoscale to create new technologies with capabilities rivaling those of living things?

  • How do we characterize and control matter away—especially very far away—from equilibrium?

  • Addressing these grand challenges is key to making the transition from observation to control of matter.

BESAC Grand Challenge Subcommittee Report

January 2008


Basic energy sciences serving the present shaping the future

Synchrotron Light Sources help the research community extend basic knowledge and advance technology development. DOE synchrotron radiation light sources epitomize the contributions of our Nation's government research facilities, both to our understanding of fundamental science and to the technological foundations of U.S. industry.

Advanced Light Source (ALS) at LBNL

Advanced Photon Source (APS) at ANL

National Synchrotron Light Source (NSLS) at BNL

Stanford Synchrotron Radiation Laboratory (SSRL) at SLAC

Neutron Sources provide a unique probe for application in many fields of science and technology. Virtually everything we know about the fundamental structure of magnetic materials—which lie at the heart of today’s motors and generators, telecommunications, and video and audio technologies—has been learned through neutron scattering. Among other applications are biomolecular structure, polymer science, high-temperature superconductivity, the structure and dynamics of solids and liquids, and the engineering properties of structural materials.

High Flux Isotope Reactor (HFIR) at ORNL

Manuel Lujan Jr. Neutron Scattering Center (LANSCE) at LANL

Spallation Neutron Source (SNS) at ORNL

The DOE Nanoscale Science Research Centers (NSRCs) are designed to be the Nation’s premier user centers for interdisciplinary research at the nanoscale, serving as the basis for a national program that encompasses new science, new tools, and new computing capabilities. Each NSRC is housed in a new laboratory building near one or more other DOE scientific user facilities.

Center for Functional Nanomaterials (CFN) at BNL

Center for Integrated Nanotechnologies (CINT) at SNL and LANL 

Center for Nanophase Materials Sciences (CNMS) at ORNL 

Center for Nanoscale Materials (CNM) at ANL

Molecular Foundry (Foundry) at LBNL

World-Leading Facilities

Driving Transformational Science and U.S. Innovation


Basic energy sciences serving the present shaping the future

Next Generation Tools

Linac Coherent Light Source: a revolutionary x-ray free electron laser that will allow probing of chemical and biological structures and examination of chemical reactions in real time at the single molecule level

National Synchrotron Light Source-II: a state-of-the-art light source for x-ray imaging, capable of nanometer resolution of structures and features of individual atoms, molecules, and crystals

Major Items of Equipment:

The instrument project for the Linac Coherent Light Source Ultrafast Science Instrumentation (LUSI) will be a suite of four x-ray instruments for exploiting the unique scientific capability of the Linac Coherent Light Source (LCLS). Two of these instruments will be optimized for hard x-ray studies of ultrafast dynamics at the atomic level, addressing basic problems in chemistry and materials science. A third instrument will concentrate on hard x-ray coherent imaging of nano-particles and large biomolecules. The fourth instrument will give LCLS the capability of using soft x-rays to study magnetic structures and surface chemistry.

Spallation Neutron Source Instrumentation II (SING II) is a Major Item of Equipment project to install four instruments at the Spallation Neutron Source (SNS). The instrument concepts for the project were competitively selected using a peer review process, and the instruments will be installed at the SNS on a phased schedule beginning in about FY 2012. The SING II instruments are in addition to the five instruments to be provided by the SING I MIE.

World-Leading Facilities

Driving Transformational Science and U.S. Innovation

- continued -


The office of science fy 2009 budget request to congress

+23.5%

+18.8%

+298,258

+748,827

The Office of Science FY 2009 Budget Request to Congress


Basic energy sciences serving the present shaping the future

BES Budget Requests & Appropriations

(in $K)

(in $K)

FY06

Approp.

FY07

Request

FY07

Approp.

FY08

Request

FY08

Approp.

FY09

Request


Basic energy sciences serving the present shaping the future

Research (~$100M devoted to EFRCs)

160,989

Facility related research

(Accelerator & Detector, E-beams)

10,354

Facilities

Light Sources

20,708

Neutron Sources

17,924

NSRCs

10,106

IPNS D&D

-4,000

Construction

NSLS-II

53,546

LCLS + linac operations + instruments

33,778

PULSE

-3,664

ALS USB

6,546

SNS instruments

1,144

TEAM

-6,687

CFN

-863

GPP/GPE

-6,150

SBIR/STTR

4,527

TOTAL ($K)

298,258

Summary of FY09 BES Budget Increases

SBIR/STTR

Research

Construction

Facilities Ops


Basic energy sciences serving the present shaping the future

Energy Frontier Research Center Program

Energy Frontier Research Centers are based on the scientific knowledge base of energy-relevant research that has been articulated through the series of twelve workshop reports, and have the following distinguishing attributes:

  • The research program is at the forefront of one or more of the challenges described in the BESAC report Directing Matter and Energy: Five Challenges for Science and the Imagination (http://www.sc.doe.gov/bes/reports/files/GC_rpt.pdf ).

  • The research program addresses one or more of the energy challenges described in the ten BES workshop reports in the Basic Research Needs series (http://www.sc.doe.gov/bes/reports/list.html).

  • The program is balanced and comprehensive, and, as needed, supports experimental, theoretical, and computational efforts and develops new approaches in these areas.

  • The program provides opportunities to inspire, train, and support leading scientists of the future who have an appreciation for the global energy challenges of the 21st century.

  • The center leadership communicates effectively with scientists of all disciplines and promotes awareness of the importance of energy science and technology.

  • There is a comprehensive management plan for a world-leading program that encourages high-risk, high-reward research.  The Center’s management plan demonstrates that the whole is substantially greater than the sum of the individual parts.


Basic energy sciences serving the present shaping the future

Energy Frontier Research Center Program

- continued -

  • A number of EFRC awards will be initiated in FY 2009 based on an open competition among academic institutions, DOE laboratories, and other institutions.  Research activities may be sited at universities, at DOE laboratories, or in joint university-laboratory collaborations. 

  • The EFRC awards are expected to be in the $2–5 million range annually for an initial 5-year period.  Pending Congressional appropriations, it is anticipated that approximately $100 million will be available for multiple EFRC awards.

  • A Funding Opportunity Announcement (FOA) will be issued in FY 2008 to request applications from the scientific community for the establishment of the initial suite of EFRCs. 

  • As the EFRC program matures, it is anticipated that EFRC competitions will be held every 2 or 3 years and that renewal submissions will be openly competed with new submissions. 

  • Out-year funding is subject to satisfactory progress in the research and the availability of funding appropriations. 

  • While capital investment in instrumentation and infrastructure are expected as part of the EFRC awards, usage and leverage of existing facilities, including the BES user facilities, is encouraged. 

  • Updates and further information on the FOA will be available through a link on the BES home page(http://www.sc.doe.gov/bes/).


How nature works to materials by design to technologies for the 21 st century

How Nature Works … to … Materials by Design … to … Technologies for the 21st Century

Technology Maturation

& Deployment

Grand Challenges Discovery and Use-Inspired Basic Research How nature works Materials properties and functionalities by design

Applied Research

  • Controlling materials processes at the level of quantum behavior of electrons

  • Atom- and energy-efficient syntheses of new forms of matter with tailored properties

  • Emergent properties from complex correlations of atomic and electronic constituents

  • Man-made nanoscale objects with capabilities rivaling those of living things

  • Controlling matter very far away from equilibrium

  • Basic research for fundamental new understanding on materials or systems that may revolutionize or transform today’s energy technologies

  • Development of new tools, techniques, and facilities, including those for the scattering sciences and for advanced modeling and computation

  • Basic research, often with the goal of addressing showstoppers on real-world applications in the energy technologies

  • Research with the goal of meeting technical milestones, with emphasis on the development, performance, cost reduction, and durability of materials and components or on efficient processes

  • Proof of technology concepts

  • Scale-up research

  • At-scale demonstration

  • Cost reduction

  • Prototyping

  • Manufacturing R&D

  • Deployment support

BESAC & BES Basic Research Needs Workshops

BESAC Grand Challenges Panel

DOE Technology Office/Industry Roadmaps

BES Energy Frontier Research Centers

Tackling our Energy Challenges in a New Era of Science


Preliminary thoughts for fy 2009 bes core program solicitation

Preliminary Thoughts for FY 2009 BES Core Program Solicitation

  • Pending Congressional appropriation, it is anticipated that up to $60 million will be available for core research program awards in FY 09.

  • Web announcement will be issued in FY 08 to request applications from the scientific community as part of the Office of Science Financial Assistance Funding Opportunity Announcement.

  • While no limit is set for each of the awards, this funding is primarily aimed at single PI or small-group projects with an initial funding of 3 years.

  • Examples of topical areas covered in the solicitations include:

    • mid-scale instrumentation, ultrafast science, chemical imaging, emergent behavior;

    • basic research for electrical energy storage, advanced nuclear energy systems, solar energy utilization, hydrogen production, storage, and use;

    • other research areas identified in the BESAC and BES workshop reports, with an emphasis on nanoscale phenomena;

    • accelerator research and development

  • Further updates and information will be available through a link on the BES home page(http://www.sc.doe.gov/bes/).


Basic energy sciences serving the present shaping the future

Next Step: Charge to BESAC

Following the completion of the 10 Basic Research Needs (BRNs) workshop reports by BES in the past five years and the recent Grand Challenges study under the auspices of BESAC, BESAC is now charged to conduct a study to tie together the aforementioned reports.

This study has two primary goals: (1) to assimilate the scientific research directions that emerged from these workshop reports into a comprehensive set of science themes; and (2) to identify the new tools required to accomplish the science. Included in this should be the consideration of future light sources with technical characteristics that will address the science questions posed by these BESAC and BES studies. This is predicated by the fact that the coherent interaction between light and matter lies at the heart of quantum control, which is one of the central themes of these reports and defines the new science frontier of the 21st Century. Furthermore, the development of the next generation of light sources not only fulfills the Department’s core missions, it is also part of our unique contribution to the Nation’s scientific strength.


Basic energy sciences serving the present shaping the future

BESAC Membership for the 2008-2009 Term

Chair: John Hemminger, U. of California, Irvine

Vice Chair: Martin Moskovits, U. of California, Santa Barbara

Simon Bare, UOP LLC

Nora Berrah, Western Michigan U.

Sylvia Ceyer, Massachusetts Inst of Tech.

Sue Clark, Washington State University

Peter Cummings, Vanderbilt University

Frank DiSalvo, Cornell University

Mostafa El-Sayed, Georgia Institute of Tech.

George Flynn, Columbia U.

Bruce Gates, University of California, Davis

Laura Greene, U. of Illinois

Sharon Hammes-Schiffer, Penn. State Univ.

John Hemminger, U.of Calif., Irvine

Michael Hochella, Virginia Tech.

Eric Isaacs, Argonne National Lab.

Bruce Kay, Pacific Northwest National Lab.

Kate Kirby, Harvard-Smithsonian Center

William McCurdy, Lawrence Berkeley National Lab.

Daniel Morse, U. of Calif., Santa Barbara

Martin Moskovits, U. of Calif., Santa Barbara

Kathryn Nagy, University of Illinois, Chicago

John Richards, California Institute of Tech.

John Spence, Arizona State University

Kathleen Taylor, General Motors (retired)

Douglas Tobias, University of California, Irvine

John Tranquada, Brookhaven National Lab.

New members indicated in red.


Basic energy sciences serving the present shaping the future

Simon Bare, UOP LLC

B.Sc. Chemistry, University of Liverpool (1979)

Ph.D. Chemistry, University of Liverpool (1982)

Postdoc, Cornell University (1979-1982)

Postdoc, Lawrence Berkeley National Laboratory (1982-1984)

Dow Chemical Co. (1985-1995)

Senior Research and Development Associate in Materials Characterization, UOP LLC (1996-present)

Research Interests:

Characterization of heterogeneous catalysis materials with an emphasis on x-ray based in situ methods to determine precise molecular structures of the active phase. Main expertise in x-ray absorption spectroscopy, x-ray photoemission, and other surface characterization techniques. Well known for the application of synchrotron-based methods to problems of industrial interest.

Uniform Catalytic Site in Sn-β-Zeolite Determined Using X-ray Absorption Fine Structure

Bare, Kelly, Sinkler, Low, Modica, and Valencia, J. Am. Chem. Soc.127, 12924 (2005).


Basic energy sciences serving the present shaping the future

Sharon Hammes-Schiffer, Pennsylvania State University

B.A., Chemistry, Princeton University (1988)

Ph.D., Chemistry, Stanford University (1993)

Postdoctoral research scientist, AT&T Bell Laboratories (1993-1995)

Clare Boothe Luce Assistant Professor, University of Notre Dame (1995-2000)

Shaffer Associate Professor, Pennsylvania State University (2000-2003)

Professor of Chemistry, Pennsylvania State University (2003-present)

Eberly Professor of Biotechnology, Pennsylvania State University (2006-present)

Research Interests:

Proton and hydride transfer reactions in enzymes Proton-coupled electron transfer reactions Development of mixed quantum/classical molecular dynamics methodology Development of multistate continuum theory Development of the nuclear-electronic orbital (NEO) method

Buffer-Assisted Proton-Coupled Electron Transfer in a Model Rhenium-Tyrosine Complex

Ishikita, Soudackov, and Hammes-Schiffer, J. Am. Chem. Soc. 129, 11146 (2007)


Basic energy sciences serving the present shaping the future

Michael F. Hochella, Jr., Virginia Tech

B.S., Geological Sciences, Virginia Tech (1975)

Ph.D., Earth Sciences, Stanford University (1981)

Senior Scientist, Corning, Inc. (1981-1983)

Senior Research Associate, Stanford University (1983-1989)

Associate Professor (Research), Stanford University (1989-1992)

Associate Professor, Virginia Tech (1992-1996)

Professor, Virginia Tech (1996-2007)

University Distinguished Professor, Virginia Tech (2007-Present)

Research Interests:

Elucidating the roles that nanoscience and mineral surface geochemistry/biogeochemistry play in major aspects of Earth sciences, particularly environmental contamination issues. Applications range from fundamental issues of how bacteria communicate with each other and with the abiotic Earth (e.g. minerals) to figuring out how toxic heavy metals are carried many hundreds of miles away from the contaminant source.

TEM of nanoparticles extracted from Washington, DC tap water.

Wigginton, Haus and Hochella,  J. Environ. Monit.9, 1306 (2007).


Basic energy sciences serving the present shaping the future

Bruce Kay, Pacific Northwest National Laboratory

B.S., Chemistry, University of Illinois, Chicago (1976)

Ph.D., Chemical Physics, University of Colorado (1982)

Member of Technical Staff & Senior Member of Technical Staff, Sandia National Laboratories, NM (1982-1991)

Laboratory Fellow, Pacific Northwest National Laboratory (1991-present)

Affiliate Professor of Physical Chemistry, Univ. of Washington (1997-present)

Affiliate Professor of Chemical Engineering, Univ. of Washington (1998- present)

Research Interests:

Molecular beam studies of physicochemical phenomena on the surface and in the bulk of Amorphous Solid Water (ASW), Crystalline Ice, Crystalline and Amorphous Materials. Physisorption and chemisorption on metal and oxide surfaces related to catalysis. Synthesis and characterization on nanoporous materials using molecular beams.

Watching water dissociate on a TiO2 surface

Zhang, Bondarchuk, Kay, White, Dohnalek, J. Phys. Chem.B110, 21840 (2006)


Basic energy sciences serving the present shaping the future

Kathryn Nagy, University of Illinois at Chicago

B. Sc., Geology, University of Delaware (1977)

Sc. M., Geological Sciences, Brown University (1981)

Ph.D., Geology, Texas A&M University (1988)

Postdoc, Yale University (1987-1990)

Associate Research Scientist, Yale University (1990-1991)

Senior Research Geologist, Exxon Production Research Co. (1991-1994)

Senior Member of Technical Staff, Sandia National Laboratories (1992-1997)

Associate Professor of Geological Sciences, Univ of Colorado (1997-2002)

Faculty Associate, Argonne National Laboratory (2003-present)

Professor, Earth and Environmental Sciences, Univ of Illinois, Chicago (2002-present)

  • Research Interests:

    • Mechanisms and rates of surface-mediated processes such as dissolution, growth, and sorption, and applying the results to a wide variety of geological and real-world problems.

    • Geochemistry of systems that are ephemeral on a geologic time-scale but are important at the human time-scale.

    • Geochemical reactions pertinent to the environmental interactions of radioactive solutions leaked from waste tanks at Hanford, WA.

    • Reactions between natural organic matter and mercury or clay minerals.

    • Experimental and surface analytical approaches, AFM, Synchrotron X-ray studies.

Hydration and distribution of ions at the mica-water interface

Park, Fenter, Nagy, and Sturchio, Phys. Rev. Lett.97, 016101 (2006).


Basic energy sciences serving the present shaping the future

Douglas J. Tobias, UC Irvine

B.S., Chemistry, UC Riverside (1984)

Ph.D., Chemistry/Biophysics, Carnegie Mellon University (1991)

Postdoc, University of Pennsylvania (1991-1995)

Guest Researcher, Center for Neutron Research, NIST (1995-1997)

Assistant Professor of Chemistry, UC Riverside (1997– 2003)

Associate Professor of Chemistry, UC Riverside (2003-2005)

Professor of Chemistry, UC Riverside (2005-present)

Research Interests:

Atomic-scale computer simulation techniques based on classical and quantum mechanics to study the structure and dynamics of biological molecules and biomimetic materials, and aqueous interfaces with air that are important in atmospheric chemical processes. A substantial portion of our work is devoted to the development, implementation, and optimization of novel simulation methodology and analysis tools.

Neutron structure factor for deuterated methanol calculated using molecular dynamics simulations

Thomas, Tobias, and MacKerell, J. of Phys. Chem. B 111, 12941 (2007)


Basic energy sciences serving the present shaping the future

John Tranquada, Brookhaven National Lab

B.A. Physics, Pomona College (1977)

Ph.D. Physics, University of Washington (1983)

Post-doc, NCSU and Brookhaven National Lab (1983-1986)

Assist./Assoc./Physicist, Brookhaven National Lab (1986-2000)

Group Leader for Neutron Scattering, BNL (1998-present)

Senior Physicist, Brookhaven National Lab (2000-present)

  • Research Interests:

  • High-temperature superconductivity

  • Charge and spin stripes in doped Mott insulators

  • Neutron scattering studies of spin and charge ordering, magnetic and lattice dynamics

  • Collaborative work on magnetization, transport properties, optical spectroscopy, synchrotron X-ray scattering

Quantum magnetic excitations from stripes in copper oxide superconductors

Tranquada, Woo, Perring, Goka, Gu, Xu, Fujita, and Yamada, Nature429, 534 (2009).


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