From: CHEKARNA@ubvm.cc.buffalo.edu
Newsgroups: sci.materials
Subject: Comp. Chem. and NLO Materials Workshop
Date: 17 Apr 92 21:38:50 GMT
Organization: University at Buffalo

========================================================================

            2nd Announcement for the workshop
            ---- -------- --------------------


     COMPUTATIONAL CHEMISTRY and NONLINEAR OPTICAL MATERIALS

                 May 18 to 20, 1992
                         at
        WRIGHT LABORATORY/MATERIALS LAB, POLYMER BRANCH,
              Wright-Patterson AFB, Dayton, OH

     The objectives of the workshop are:
     1. To review the current status of theory and computational
         methods to model nonlinear optical (NLO) materials.

     2. To provide demonstration of existing quantum chemistry programs
         for modeling NLO materials.

     3. To present key issues in theoretical modeling and identify
         future opportunities in the area of NLO materials.

    Main Speakers
    -------------
     R. J. Bartlett    (U. of Florida)
     H. F. Hameka      (U. of Pennsylvania)
     H. A. Kurtz       (Memphis State U.)
     B. M. Pierce      (Hughes Aircraft Co.)
     P. N. Prasad      (SUNY at Buffalo)
     M. A. Ratner      (Northwestern U.)
     D. A. Smith       (U. of Toledo)
     C. C. J. Roothaan (U. of Chicago)
   --------------------------------------------------------------

                   Workshop Organizers

   1. Douglas S. Dudis                  2.  Shashi P. Karna
      Wright Laboratory                     Photonics Research Lab
      WL/MLBP                               Department of Chemistry
      Wright-Patterson AFB, OH 45433        SUNY at Buffalo
                                            Buffalo, NY 14214
    Phone: (513) 255-9148                 Phone: (716) 831-3010
    Fax  : (513) 255-9157                 Fax  : (716) 831-2447
    e-mail:                               e-mail:
    dudisds@apollo.ml.wpafb.af.mil        chekarna@ubvm.cc.buffalo.edu

   Registration:
   ------------
       For an early registration, send the completed registration form
   (enclosed) with a fee of $80.00 (eighty), payable to "computational
   NLO workshop", to Shashi Karna on the above address.


   Acommodations:
  --------------
      A block of rooms has been reserved in the Hope Hotel at Wright-
    Patterson ($40.00 for single and $45.00 for double room per night)
    under "computational chemistry workshop."  Interested persons should
    call the  Hope Hotel directly at (513) 879-2696.  The rooms are
    available on a first come first basis.  For further information,
    please contact Douglas Dudis (Wright-Patterson AFB, WL/MLBP).

                      REGISTRATION FORM


Name   _______________________________________________________
       LAST                  FIRST                MIDDLE

Mailing Address  ________________________________________________

                 ________________________________________________

                 ________________________________________________

                 ________________________________________________

Affiliation      ________________________________________________

Visa type       ___________________
(for foreign nationals)

Telephone Number ____________________

e-mail if any    ____________________

FAX if any       ____________________


 --------------------------------------------------------------------
      PARTIAL LIST OF THE LECTURE/VIDEO PRESENTATIONS
      -----------------------------------------------


  Semiempirical Studies of Conformational Effects on Nonlinear OPtical
  Properties of Polyenes:  J. P. Adams, U. Toledo.

  Toward Definitive Quantum Mechanical Predictions of Molecular
  Hyperpolarizabilities:  R. J. Bartlett, U. Florida.

  A Theoretical Evaluation of the Vibronic Coupling Effects on the
  Third Order Hyperpolarizabilities of Some Small Molecules: G. P. Das,
  Wright Laboratory, Wright-Patterson AFB.

  Molecules With Charge Transfer States: Estimation of NLO Property
  Enhancements:  D. S. Dudis, Wright Laboratory, Wright-Patterson AFB.

  Early Theoretical Studies of Nonlinear Electric Susceptibilities
  of Organic Molecules:   H. F. Hameka, U. Pennsylvania.

  High Performance Computations in the Theoretical Modeling of
  NLO Materials:  S. P. Karna, SUNY at Buffalo.

  Theoretical Modeling of Organic NLO Materials by First-Principle
  Quantum Chemical Methods:  V. Keshari, SUNY at Buffalo
  Calculations of Nonlinear Optical Properties:  Important Aspects
  of Large Molecules:   H. A. Kurtz, Memphis State U.

  Visualization of the Effect of Applied Electric Field on Molecular
  Orbitals (Video Presentation):  M. E. Mura, U. Toledo.

  Calculation and Analysis of Third Order Polarizabilities and
  Two-Photon Absorptivity of Pi-Electron Conjugated Molecules: B. M.
  Pierce, Hughes Aircraft Company.

  Computational Chemistry and NLO Materials: Issues and Opportunities:
  P. N. Prasad, SUNY at Buffalo.

  Semiempirical Molecular Orbital Calculations of Molecular
  Nonlinear Optical Response:  M. A. Ratner, Northwestern U.

  The Impact of Microcoded Pipelined Computers on Quantum Chemistry:
  C. C. J. Roothaan, U. Chicago.

  TDHF Application to Molecular Hyperpolarizability Calculations:
  H. Sekino, U. Florida.

  The Effect of Off-atom Basis Functions on Calculated Polarizabilities.
  D. A. Smith, U. Toledo.

  The Effect of Electron Correlation on the Non-Linear Optical
  Properties of Polyacetylene:  D. Yaron, M. I. T.
Newsgroups: sci.materials