Subject: CCG Excellence Award Winners

From: Curt Breneman <brenec~at~rpi.edu>
Date: Tue, 07 Dec 2004 23:27:04 -0500

Dear Computational Chemistry Community,

It is my pleasure on behalf of the ACS Division of Computers in 
Chemistry to announce the winners of the Chemical Computing Group CCG 
Excellence Spring 2005 ACS San Diego ACS meeting.  They are:

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

Anastassia Alexandrova  - Department of Chemistry, Utah State University 
"Ab Initio Genetic Algorithm-based Elucidation of Multiply Aromatic 
Clusters" (Alexander I. Boldyrev)

Biggi Albrecht  - Unilever Center for Molecular Informatics, Cambridge 
University "Uncovering Networks within Protein Structure" (Guy H. Grant)

Dechuan Zhuang  - Department of Chemistry, RPI "Consensus Descriptor 
Selection under Multiple Objectives using Linear Support Vector 
Regression" (Curt M. Breneman)

Hanbin Liu - Department of Chemistry, University of Pittsburgh "On the 
Convergence of a Hybrid Parallel Tempering Tsallis Statistics Monte 
Carlo Algorithm" (Ken Jordan)

John Mongan - Department of Chemistry, University of California, San 
Diego "Discrete State Constant pH Molecular Dynamics in Generalized Born 
Implicit Solvent" (J. Andrew McCammon)

Matt Sundling - Department of Chemistry, RPI "PEST vs CoMFA:  A 
Comparative Study of two 3D QSAR Technologies" (Curt M .Breneman)

Melinda Harrison  - Department of Chemistry, Duquesne University "A 
QM/MM' Approach  to Modeling  the Zn(II)/Cu(I) Core of a Protein" (Jeff 
Evanseck)

Scott Yockel - Department of Chemistry, University of North Texas, 
Denton "Structures and Energetics of Small Third-Row Molecules with 
Correlation-Consistent Basis Sets" (Angela Wilson)

Xianlong Vincent Wang - Department of Chemistry, Bryn Mawr College "Ab 
Initio Studies of Methyl and t-Butyl Group Internal Rotation in 
Aromatic  Molecular Crystals" (Frank Mallory)

Zunnan Huang - Department of Chemistry, University of Oklahoma 
"Trajectory-randomized Replica Canonical and Microcanonical Ensembles 
Simulations and Limitations of MD simulations" (Ralph Wheeler)

Congratulations to the winners!!  We look forward to seeing their talks 
and posters at the ACS Meeting in San Diego, California next Spring.