Theoretical Condensed Matter Physics

Division of Materials Sciences and Engineering




The Theoretical Condensed Matter Physics activity provides theoretical support for all parts of the Materials Science and Engineering Division. Research areas are broadly defined but include themes in correlated electrons, low dimensional systems, nanostructures and theory of the experiment.   flashing red starNew CMSN Funding Opportunity Announcement, preliminary proposals due November 2, 2009.

The advent of new materials research areas and new enabling technology requires new theoretical frameworks as well as a re-examination of old theories.   A very important contribution of the theorist is enforcing a rational, consistent understanding of experimental observations so that we can go forward. Most of the time, this means working out the implications of a theory for a specific material or situation. In materials, this can be an extremely difficult task because of the very many atoms involved. Many conceptual tools such as quasiparticles or phenomena at different length scales have been developed and must continue to be developed. This continues to be a very important aspect of this theoretical program. However, many phenomena now being studied involve large scale computation to perform complex calculations or simulations of many interacting components. The rapid advance in computational capabilities enables research at an unprecedented level of sophistication such that computational science has become a "third way of doing science".  But at a price: the complexity of such research requires larger groups of collaborating researchers from a diversity of disciplines.  A significant effort within the portfolio is the development of advanced computer algorithms and fast codes to treat many-particle systems.  A collaboration facilitating component is the Computational Materials Science Network (CMSN), which enables groups of scientists assembled from DOE laboratories, universities, and  industry to address materials problems requiring larger-scale collaboration across disciplinary and organizational boundaries.

In 2003, the Basic Energy Sciences Advisory Committee (BESAC) considered Theory and Computation in Basic Energy Sciences (http://www.sc.doe.gov/bes/reports/files/OD_rpt.pdf) .  The report called out areas of opportunity which have recently been incorporated into the BES program: 

  • Nanoscience
  • Biomimetic materials and energy processes
  • Correlated electrons in solids
  • Excited electronic states
  • Control of energy, matter, and information at the quantum level
  • Ultrafast physics and chemistry
  • Defects in solids
  • Magnetic spin systems and single-electron devices
  • Control of chemical transformations

A more complete summary of the TCMP program can be here.

For more information about this core research activity, please contact Dr. Jim Horwitz (Team Lead, Condensed Matter and Materials Physics) or Dr. Arun Bansil, IPA (Acting Program Manager, Theoretical Condensed Matter Physics).  Click here for information on other core research activities supported by BES.

NEW FUNDING OPPORTUNITY

Computational Materials Science Network (CMSN) Program

In FY 2010, the Theoretical Condensed Matter Physics program of the U.S. Department of Energy, Basic Energy Sciences, Division of Materials Sciences and Engineering, will provide support for starting new Computational Materials Science Network (CMSN) projects. The CMSN program supports fundamental research activities in theory and computation relevant to Materials Sciences. CMSN projects involve the creation of a Collaborative Research Team (CRT) of researchers who share a coherent scientific goal addressing a significant problem in the physics of materials. The main purpose of CMSN funding is to provide CRT members appropriate resources so that the team can coalesce into a larger whole and allow the team to come together to focus effectively on a challenging problem which requires a combination of skill-sets. One of the members of the CRT must serve as the lead principal investigator for the team. 

CMSN teams are funded for three years.  Awards may be up to $320K per year.  For multi-institution projects, the lead PI’s home institution must serve as the central budget and reporting authority with sub-awards to other participants.  CRT participation is open to anyone who can contribute to the success of the team, including scientists from DOE laboratories, other U.S. government laboratories, universities, and industry. Although CMSN projects are non-renewable, a CRT may reconstitute itself after three years for the purpose of addressing a new challenge.

CMSN funds are intended to facilitate collaborative aspects of the team research effort and may be used to support shared junior researchers, travel between member institutions, holding team coordination meetings, or other appropriate activities that will enable the team to work together. CMSN funds cannot be used towards salaries of the PIs or other senior members of the team. Although experimentalists cannot be members of a CMSN team, they can serve in the role of advisors.

Individuals interested in this funding opportunity are encouraged to review documentation of current and past CMSN efforts at http://www.phys.washington.edu/users/cmsn/ and submit a preliminary proposal to DOE.  The cover page for the preliminary proposal must identify each Principal Investigator (PI) including their institution, address, telephone and fax numbers, and email address. Preliminary proposals (exclusive of the cover page, references, CVs and estimated budget) are limited to a maximum of 3 pages.  No appendices are allowed.  The 3 page document should include the following information.

·  Computational materials science challenge to be addressed and the major scientific advances expected.

·  How CMSN funds will facilitate the collaborative aspects of the effort by augmenting existing funding of the team members.  CMSN program is intended to support a team of researchers who are already engaged in relevant research activities. CMSN funding provides the additional support necessary for the development of effective collaborations within the CRT.

·  A management plan that addresses specific activities to be undertaken for developing and maintaining synergistic collaborations among the team members. Refinement of research goals, identification of specific research activities, fostering group strategies and monitoring progress are responsibilities of an active management process that must be planned and implemented. Membership in the CRT is flexible as is the distribution of funds among the participants.

·  Identify the lead PI and members of the CRT, and describe clearly the role each team member will play in the project. Outline the methodologies to be deployed.

Additional pages should provide:

·  An estimate of the total yearly budget, including how the first year funding would be distributed among the team members and what these would support.

·  A one page CV for each of the key members of the team, listing in particular five relevant publications (include titles).

DOE Laboratories can submit a maximum of two preliminary proposals which must be submitted through the cognizant Laboratory official responsible for BES-Materials Sciences and Engineering programs.

The timeline for the CMSN applications is as follows.

·         Preliminary proposals must be submitted electronically as a pdf attachment by sending an email to the address: cmsn@science.doe.gov by November 2, 2009.

·         By January 8, 2010, review of preliminary proposals will be completed, and the successful PIs will be notified.

·         Only encouraged projects are eligible to submit full proposals. Formal applications must be submitted through grants.gov by 4:30 PM, EST, March 1, 2010, to be accepted for merit review and funding in Fiscal Year 2010. Details on how to apply for a grant can be found at http://www.sc.doe.gov/bes/grants.html

·         National Laboratory applications must be submitted attached to an FWP through the Searchable FWP system.  Details on the preparation of a review document can be found on our website at  http://www.sc.doe.gov/bes/Guide_for_Lab_Rev_Docs.pdf

·         Successful CMSN projects will be announced by July 1, 2010. All awards are contingent upon the availability of funds and programmatic priorities.

  

For more information about this core research activity, please contact Dr. Jim Horwitz (Team Lead, Condensed Matter and Materials Physics) or Dr. Arun Bansil (Acting Program Manager, Theoretical Condensed Matter Physics).  Click here for information on other core research activities supported by BES.

 Review Criteria for CMSN Proposals

 All proposals submitted to BES undergo Peer Review:  http://www.sc.doe.gov/bes/peerreview.html

 The mission of the CMSN program is to advance computational materials science by enabling diverse sets of researchers to work together for the purpose of solving challenging materials problems. In view of this special focus, review of CMSN proposals is based not only on the standard DOE criteria applicable to all DOE proposals, but on additional factors relevant for achieving the goals of the program. These criteria are outlined below, including special considerations applicable to CMSN proposals. While reviewers are free to comment on any relevant aspect of a proposal, examples of the type of questions that reviewers are encouraged to comment on are listed below following each criterion.

  1. Scientific and/or technical merit of the project
     
    • What is the critical theoretical/computational materials science challenge being addressed? What influence might the results of the proposed project have on the direction, progress and thinking in relevant scientific fields of research?
    • What is the relationship of the proposed project to existing DOE/BES-funded projects? CMSN projects should complement and build on existing BES projects.
    • What is the likelihood of achieving valuable results? What is the scientific innovation and originality indicated in the proposed project?
    • What theoretical and computational tools will be developed and who will have access to such tools?
    • Is the project synergistic with appropriate experimental or industrial efforts?
    • Does the project lead to new algorithms and/or software which will be available to the broader community?
       
  1. Appropriateness of the proposed method or approach

·        Are the methods and approaches to be used in the conduct of proposed research technically sound and feasible?

·        Does the project present a sound, clearly articulated management plan? Does this plan include mechanisms for assessing scientific progress and making resource allocation decisions? How reprioritization of scientific directions will be carried out as warranted by the results obtained during the course of the project? Does the management plan present active mechanisms for fostering communications and developing collaborations within the team? How will the results of the project be disseminated? A sound management plan is critically important for the success of a CMSN project.

·        To what extent are codes/algorithms and techniques to be shared among the team members? Will the project lead to explicit deliverables in this respect? How widely will such deliverables be shared in the scientific community?

  1. Competency of the personnel and adequacy of proposed resources.

·        How strong is the background, past performance and potential of the senior personnel involved in the CMSN team for successful execution of the proposed project?

·        Are the facilities available to the CMSN team adequate for performing the proposed research?

·        What type of computational resources (cycles, memory, storage, visualization and networking, MPP) will be required by the team at various stages of the project?

  1. Reasonableness and appropriateness of the proposed budget

·        Is the proposed budget reasonable and appropriate? To what extent are specific budget items justified?

·        Are there any excessive or inappropriate budget items requested?

5.   Rationale for the CMSN Team

·        Is the team composed of members who would normally be unable to partner or not have the opportunity to partner in the absence of CMSN support?

·        Do the scientific goals of the CMSN team require deploying a multi-investigator team encompassing a broad and diverse base of skill-sets?  Could these goals be tackled by groups of single investigator projects or currently existing collaborations?

·        What are the deliverables of the project and are these deliverables articulated clearly?

·        What is the long-range vision of the project with respect to deliverables? A CMSN project should have well-articulated impact beyond its existence.

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Last modification 08/24/2009