Emerging Methods in CCM Workshop

       The U.S. Army Research Laboratory Computational and Information
       Sciences Directorate and the Computational Chemistry and Materials
           CTA of the Programming Environment and Training program of
                    ARL MSRC are pleased to announce their
                          SECOND PET-CCM WORKSHOP ON
       EMERGING METHODS IN COMPUTATIONAL CHEMISTRY AND MATERIALS SCIENCE
                            Featuring sessions on:
                         Multiscale Materials Modeling
                     Mixed Quantum / Classical Techniques
                        Advanced Algorithm Development
                          Sheraton Four Points Hotel
                      980 Beards Hill Road, Aberdeen MD
                             May 31 - June 1, 2001
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 AGENDA:
 May 31
  8:00 a.m. - 8:20 a.m.        Registration, Coffee, etc.
  8:20 a.m. - 8:30 a.m.        Introductory Remarks
  8:30 a.m. - 12:00 p.m.       Multiscale Materials Modeling
     * Aiichiro Nakano (LSU) -- Scalable algorithms for large
       multiscale simulations of nanomaterials on a Grid
     * Thomas Beck (Cincinnati) -- Real Space Multiscale Methods
       in Density Functional Theory
     * William Curtin (Brown) -- Bridging Length Scales in
       Materials: Coupling Atomistic and Continuum Models of
       Dislocation Dynamics
  1:30 p.m. - 5:00 p.m.        Mixed Quantum / Classical
                               Techniques
     * Richard Friesner (Columbia) -- Mixed QM/MM Methods for
       Modeling Protein Active Site Chemistry
     * Darrin York (Minnesota) -- Multiscale Methods to Model
       Quantum Effects in Biological Systems
     * Kenneth Merz, Jr. (Penn State) -- Quantum Bioinformatics:
       Methods and Applications
 June 1
 8:30 a.m. - 10:30 a.m.       Advanced Algorithm Development I
     * Arthur Voter (LANL) -- Accelerated Molecular Dynamics
       Methods
     * Sidney Yip (MIT) -- Atomistic Measures of Materials
       Strength, Deformation and Toughness
  10:30 a.m. - 11:30 a.m.      Poster Session
  1:00 p.m. - 3:00 p.m.        Advanced Algorithm Development II
     * Brett Dunlap (NRL) -- An Introduction to Solid Harmonic
       Gaussian Density Functional Chemical Dynamics
     * Martin Head-Gordon (UC Berkeley) -- Fast Methods for
       Electronic Structure Calculations: Density Functional and
       Coupled Cluster Methods
  3:15 p.m. - 5:00 p.m.        DoD Perspectives on Chemistry/Materials Research
     * Raju Namburu (ARL) -- title to be announced
     * Ruth Pachter (AFRL) -- title to be announced
     * Michael Mehl (NRL) -- title to be announced
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 For more information and for online registration, please consults:
 http://www.arl.hpc.mil/PET/cta/ccm/workshops/emerg01/index.html
 THERE IS NO FEE FOR THIS WORKSHOP.
 Participants are encouraged to present a poster on their research.
 Abstracts should be received no later than May 15,2001.
 Please do not hesitate to contact us if there are any questions.
 We look forward to seeing you in Aberdeen.
 Margaret Hurley                  Gerald Lushington
 ARL-CISD                         OSC / PET-CCM
 Phone: 410-278-7591              Phone 614-292-6036
 FAX : 410-297-9521               FAX 614-292-7168
 e-mail: hurley $#at#$ arl.army.mil      e-mail: gerald $#at#$ ccl.net
 ----------------------------------------------------------------------
 Gerald H. Lushington               Ph: 614-292-6036
 Research Specialist                Fax: 614-292-7168
 OSC / PET-CCM                      e-mail: gerald $#at#$ ccl.net
 1224 Kinnear Road                  http://www.arl.hpc.mil/PET/cta/ccm
 Columbus OH 43212-1163             http://www.asc.hpc.mil/PET/CCM