Current Events
Announcements for Awards
Spring 2010 Outstanding Junior Faculty Awards in Computational Chemistry
The winners of the Spring, 2010 award will be presented at the Spring ACS Meeting in San Francisco. The COMP Division would like to congratulate the following individuals on their award:
- David Earl
- Department of Chemistry
- University of Pittsburgh
- Monte Carlo Cluster Algorithms to Enhance Conformational Sampling in Solvated Systems
- dearl@pitt.edu
- William Noid
- Department of Chemistry
- Pennsylvania State University
- The generalized Yvon-Born-Green theory for extended ensembles:
- A framework for calculating transferable potentials from known structures
- wnoid@chem.psu.edu
- Garegin Papoian
- Department of Chemistry
- University of North Carolina, Chapel Hill
- Physico-Chemical Modeling of Actin Polymerization In Vivo
- gpapoian@unc.edu
- Jana Shen
- Department of Chemistry & Biochemistry
- University of Oklahoma
- A novel theoretical method to uncover residue-specific information for the
- denatured states of proteins
- jana.k.shen@ou.edu
The new Junior Faculty Award announcement has been placed on the website. Please consider submitting your research for consideration for The Outstanding Junior Faculty Award Program. The details for submissions are available on this website under the awards section.
Spring 2010 CCG Excellence Graduate Student Travel Award
The winners of the Spring, 2010 award will be presented at the Fall ACS Meeting in San Francisco. The COMP Division would like to congratulate the following individuals on their award:
- Trent Balius
- Department of Applied Mathematics and Statistics
- SUNY Stony Brook
- Advisor: Robert Rizzo
- Computational prediction of fold resistance in EGFR drug resistance
- tbalius@aol.com
- Mehmed Ertem
- Department of Chemistry
- Univ. of Minnesota
- Advisor: Chris Cramer
- Water Oxidation Mechanisms of Ru-Hbpp, cis-Ru(bpy)2(OH2)2 and Ru(DAMP)(bpy) Catalysts
- ertem002@umn.edu
- Katrina Lexa
- Department of Medicinal Chemistry
- University of Michigan
- Advisor: Heather Carlson
- Mapping protein surfaces for druggable hot spots: Mixed-solvent molecular dynamics (MixMD)
- klexa@umich.edu
- Pansy Patel
- Department of Chemistry
- University of Central Florida
- Advisor: Artëm E. Masunov
- Prediction of Properties of Diarylethene Photochromic Compounds for use as Nonvolatile
- Optical Data Storage Devices: A Density Functional Theory Study
- dhilonpansy@gmail.com
- Jason Swails
- University of Florida
- Department of Chemistry
- Advisor: Adrian Roitberg
- Effect of pH on Protein Conformation and Function in GM2-Activator Protein
- jason.swails@gmail.com
- klexa@umich.edu
Details on submitting applications for the five $1,150 ACS/CCG Excellence Student Travel Award Stipends that are awarded for the National ACS meetings are available on this website.
Spring 2010 ACS Graduate Student Awards in Supercomputing
The winners of the Spring, 2010 award will be presented at the Spring ACS Meeting in San Francisco. The COMP Division would like to congratulate the following individuals on their award:
- Shruba Gangopadhyay
- Department of Chemistry
- University of Central Florida
- Artëm E. Masunov
- Prediction of weak magnetic exchange constant
- in Mn12(mda) complex using DFT+U
- shruba@gmail.com
- Amber Carr
- Department of Chemistry
- SUNY Stony Brook
- Carlos Simmerling
- Examining the Effect of Self-guided Langevin Dynamics on the
- Thermodynamic Stability and Kinetics of Peptide Folding
- amber.carr@gmail.com
Two Graduate Student Awards in Supercomputing will be awarded at the Spring 2010 San Francisco ACS National Meeting. Please check the announcement for details!
Note: Image, NEK2 kinase, courtesy of Ben Ellingson and Mike Word, OpenEye Scientific Software, all rights reserved.
The views and opinions expressed in this page are strictly those of the Division of Computers in Chemistry. The contents of this page have not been reviewed or approved by the American Chemical Society. Please address all comments and other feedback to the the COMP Division.