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News of 2006
williams Duane Williams has been awarded the 2006 Florida/Georgia Louis Stokes Alliance for Minority Participation Fellowship.


Professor Rodney J. Bartlett, Graduate Research Professor of Chemistry and Physics, Quantum Theory Project, has been selected as the recipient of the ACS Award in Theoretical Chemistry in 2007 sponsored by IBM Corporation.

This is one of the most prestigious international awards in the field and given to a scientist of any nationality or age who has accomplished innovative research in theoretical chemistry that either advances theoretical methodology or contributes to new discoveries about chemical systems.

Professor Bartlett has been both a pioneer of rigorous many-body methods for electron correlation and a main thrust that brought them into today's central computational tool for accurate electronic structure prediction, the latter through the continuous refinement of theory and computational algorithms and also by carrying out important applications, which often led to discoveries of new chemical principles and species. It is now widely agreed that the many-body methods that Professor Bartlett has been instrumental in establishing offer the most predictive, generally applicable approaches in the field.

Professor Bartlett will be honored in an award ceremony held during the 233rd National ACS meeting in Chicago, March 25-29. The past recipients of the award, listed below, include 10 National Academy members and 2 Nobel Laureates.

  • 1993 Martin Karplus
  • 1994 William H. Miller
  • 1995 Bruce J. Berne
  • 1996 David Chandler
  • 1997 Rudolph A. Marcus
  • 1998 John A. Pople
  • 1999 Benjamin Widom
  • 2000 Ernest R. Davidson
  • 2001 Michele Parrinello
  • 2002 Klaus Ruedenberg
  • 2003 Henry F. Schaefer III
  • 2004 John C. Tully
  • 2005 Eric J. Heller
  • 2006 Hans C. Andersen

bryan Bryan Opt'Holt had his PhD defense on Thursday, Sept. 21 on "Computation Studies of the Structure and Function of Metalloenzymes and the Performance of Density Functional Methods."
alex Alex Pacheco had his PhD defense on "First Principles Dynamics of Transient Ligh Absorption and Emission of Alkali Atoms Interacting with Rare Gas Atoms."

Dr. Adrian Roitberg was awarded a Fulbright Fellowship to spend 3 months in Argentina. He will be collaborating with a group at the University of Buenos Aires on the study of enzymes related to Chagas' disease, a neglected endemic disease affecting 18 million people in South and Central America. He will also teach a course on molecular modeling in biomolecules and visit a number of other universities to present his research.

So Hirata and Adrian Roitberg have been named, along with 33 other young scientists, to "represent the  voice of a new generation of theoretical chemists," according to Christopher J. Cramer, Editor and Donald G. Truhlar, Chief Advisory Editor of Theoretical Chemistry Accounts.  Nominations were gathered from 31 senior leaders in the field and the nominees were invited to participate in "a special issue of Theoretical Chemistry Accounts ...entitled "New Perspectives in Theoretical Chemistry".
Eric Deumens Dr. Erik Deumens has been appointed as the first Director of the High Performance Computing Center (HPCC). Erik will also continue to be the Director for Computing for the Quantum Theory Project (QTP) where he is responsible for operating the computing environment at QTP. Since 1994, he has been involved in the development of a high performance, portable, parallel software library for quantum chemical integrals, called QTIP as testing ground for research and teaching of high quality software engineering. He also lectures on High Performance Computing Topics covering all issues involved in programming for scientific computing: including architecture of modern CPU's and parallel computers, object oriented design, correct programming, debugging and performance analysis, message passing programming, and thread programming. Erik received his Ph.D. in Physics in 1982 and his DSc in 1984 from the University of Brussels. Erik holds a Scientist faculty line in the departments of Chemistry and Physics and has been at the University of Florida since 1990.
cheng QTP Faculty Members elected as APS Fellow.

Each new fellow is elected after careful and competitive review and recommendation by a fellowship committee on the unit level, additional review by the APS Fellowship Committee and final approval by the full APS Council. Only 0.5% of the total APS membership is selected for Fellowship in the Society each year.

Hai-Ping Cheng (APS Division of Computational Physics) For insights from pioneer nanoscale simulations, notably on cluster phase transitions, surface melting, and nanocrystal-surface interactions, especially the interplay between structure and dynamics and between structure and conductance. Members of QTP that are APS Fellows

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Last Updated 12/12/07

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