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Quantum Theory Project
2234 New Physics Bulding #92
PO Box 118435
Gainesville FL 32611-8435
Phone: (352) 392-1597
Fax: (352) 392-8722
Email:"lastname" qtp ufl edu
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News
of 2006
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Duane Williams has been awarded
the 2006 Florida/Georgia Louis Stokes Alliance for Minority
Participation Fellowship. |
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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
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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." |
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Alex Pacheco had his PhD defense
on "First Principles Dynamics of Transient Ligh Absorption and Emission
of Alkali Atoms Interacting with Rare Gas Atoms."
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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. |
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TWO
QTP FACULTY AMONG THOSE
NAMED to REPRESENT the NEW GENERATION OF
THEORETICAL CHEMISTS
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". |
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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. |
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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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