Computers in Chemistry

The Hewlett-Packard Outstanding
Junior Faculty Award Program

American Chemical Society

The 2008 Winners

The COMP Division Executive Committee is pleased to announce the winners of the 2008 Hewlett Packard Outstanding Junior Faculty Award. This award is designed to recognize early success and academic potential in computational chemists who are on the tenure track, but had not yet received tenure. The award consists of a check for $1,000, a special gift from Hewlett Packard and recognition at the COMP poster session awards ceremony in New Orleans, on the Tuesday night of the national ACS meeting. This year's winners are:

Micah L. Abrams
University of Central Arkansas
Conway, AR
Determination of absolute configuration in solution

Orlando Acevedo
Auburn University
Auburn, AL
Advances in potentials of mean force methodology for organic and biological simulations

So Hirata
University of Florida
Gainesville FL
Predictive electronic and vibrational many-body methods

Shuxing (King) Zhang
MD Anderson Cancer Center
Houston, TX
Integration of a bioinformatics approach to high-throughput docking and its
application to the discovery of novel TNF receptor-associated factor 6 (TRAF6) inhibitors

Wei Yang
Department of Chemistry and Biochemistry
Institute of Molecular Biophysics
School of Computational Science, Florida State University, FL
Problem Oriented Sampling Design Towards Quantitative Biomolecular Simulations

Description of the Award
and Application Procedure

The HP Outstanding Junior Faculty Award program provides $1,000 to each of four outstanding tenure-track junior faculty members to present their work in COMP symposia at ACS National Meetings. The Awards are designed to assist new faculty members in gaining visibility within the COMP community. Award certificates and $1,000 prizes will be presented at the COMP Poster session. While special consideration will be given to Assistant Professors presenting work in the area of algorithm and methods development, applications for HP Outstanding Junior Faculty Awards are invited from all current tenure-track junior faculty who are members of ACS and the ACS Division of Computers in Chemistry. Postdoctoral researchers in transition to faculty appointments may also be considered. Selection criteria will include the novelty and importance of the work to be presented, as well as the level of Departmental support as indicated by a letter of support by the Chair or Chair designee.

To apply for an award for the ACS National Meeting In Philadelphia, PA, Aug. 17-21, 2008, an extended abstract of the work (no more than 2 pages) and the letter of departmental support should be sent to

carlos.simmerling@gmail.com

IMPORTANT: EXTENDED ABSTRACT AND SUPPORT LETTER MUST BE RECEIVED BY 5PM EASTERN TIME ON MARCH 7, 2008.

Applicants will receive email confirmation of receipt of materials. If you do not receive confirmation by March 10, 2008, please contact the organizer immediately by telephone. In addition, you must submit your normal abstract to the "HP Outstanding Junior Faculty Award" symposium on the OASYS system (the COMP OASYS deadline is March 17, 2008 for the Philadelphia ACS Meeting)

Past Award Winners

The 2007 (Chicago) winners were:

Ray L
UC Irvine
"Scaling in biomolecular hydration: A critical analysis of implicit solvents"

Nathan Bak
Washington University
"Modeling membrane potentials: when does discreteness matter?"

Michael Fe
Michigan State University
"Implicit modeling of complex cellular environments"

George Kamin
Central Michigan University
"Computing pKa shifts of turkey ovomuvoid third domain (OMTKY3) residues with a polarizable force field."

The 2006 winners were:

Hendrik Hei
University of Akron, Department of Polymer Engineering
“Force Fields for Inorganic Components in Hybrid Systems”

David van der Spo
University of Uppsala, Department of Cell and Molecular Biology
“Protein Folding Properties from Molecular Dynamics Simulations”

Henryk Wit
National Chiao Tung University, Department of Applied Chemisty
“Relativistic parameterization of the SCC-DFTB method”

Anatoly Ruvins
University of Kansas, Center for Bioinformatics
“Novel statistical-thermodynamic method for computation of protein-ligand binding entropy: docking test with 11 scoring functions”