Fall 2010 HP Outstanding Junior Faculty
Awards in Computational Chemistry
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 the 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 Boston, MA, August 22-26, 2010, an extended abstract of the work (no more than 2 pages), a CV and the letter of departmental support should be sent as pdf or text files (no other formats accepted) to carlos.simmerling_AT_gmail.com
IMPORTANT: APPLICATION MATERIALS MUST BE RECEIVED BY 5PM EASTERN TIME ON APRIL 19, 2010.
Applicants will receive email confirmation of receipt of materials. If you do not receive confirmation by April 20, 2010, please contact the organizer immediately by telephone (see below).
In addition, you must submit your normal abstract to the "HP Outstanding Junior Faculty Award" symposium on the OASYS system (the COMP PACS deadline is April 19, 2010). Note that this is an abstract for the poster presentation. We also suggest that award applicants submit a separate abstract to OASYS for an oral presentation, in addition to their poster abstract (note that acceptance into the oral sessions is not guaranteed).
For additional information, contact:
- Carlos Simmerling
- Chair, ACS COMP Division Awards Committee
- Professor, Department of Chemistry
- Stony Brook University
- Stony Brook, NY 11794-3400
- 631-384-9248
- carlos.simmerling_AT_gmail.com
Past Award Winners
The Spring 2010 (San Francisco) winners were:
- 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 Fall 2009 (Washington DC) winners were:
- Chia-en Chang
- UC Riverside
- Multi-scale Simulation Methods for Protein Dynamics and Synergistic Regulation of Enzyme Complexes
- Jose Gascon
- University of Connecticut
- Integrating Electronic-Embedding QM/MM approaches with implicit electrostatic solvent models
- Donald Hamelberg
- Georgia State University
- Accelerated Molecular Dynamics in studying long-timescale biomolecular events
- David Mobley
- University of New Orleans
- Computational predictions of binding affinities
The Spring 2009 (Salt Lake City) winners are:
- Aurora Clark
- Washington State University
- Department of Chemistry
- Force-Field Development for Heavy Elements Using Ab-Initio
- Data and the Force Matching Method
- Aaron Dinner
- Univ. of Chicago
- Department of Chemistry
- Enhanced sampling methods for molecular systems far from equilibrium
- Alexey Onufriev
- Virginia Tech
- Departments of Computer Science and Physics
- A new generation of analytical tools for biomolecular electrostatics
- Edward Valeev
- Virginia Tech
- Department of Chemistry
- Practical Many-Body Methods For Computational Thermochemistry, Kinetics, and Spectroscopy
The Fall 2008 (Philadelphia) winners were:
- Lillian Chong
- Department of Chemistry
- University of Pittsburgh
- Atomistic simulations of a two-domain protein switch:
- mechanically-induced unfolding of one domain by the other
- Pengyu Ren
- Department of Biomedical Engineering
- University of Texas at Austin
- Development of polarizable force field for ions
- Ravi Radhakrishnan
- Department of Bioengineering
- University of Pennsylvania
- Dynamic Coupling Machinery in DNA Polymerases: Discovering Hidden
- Nano-Modules in Biomolecular Function through Theory and Simulations
- Artem E. Masunov
- Nanoscience Technology Center
- Department of Physics, Department of Chemistry
- University of Central Florida
- Comparison of Sum over States (SOS) and Coupled Electronic Oscillator
- (CEO) formalisms used for computational design of Two Photon Absorbing
- materials with Time-Dependent Density Functional Theory
The Spring 2008 (New Orleans) winners were:
- 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
The Fall 2007 (Boston) winners were:
- Thomas Cheatham
- University of Utah
- Jhih-Wei Chu
- University of California Berkeley
- Sandeep Patel
- University of Delaware
- Robert Rizzo
- Stony Brook University
The Spring 2007 (Chicago) winners were:
- Ray Luo
- UC Irvine
- Scaling in biomolecular hydration: A critical analysis of implicit solvents
- Nathan Baker
- Washington University
- Modeling membrane potentials: when does discreteness matter?
- Michael Feig
- Michigan State University
- Implicit modeling of complex cellular environments
- George Kaminski
- Central Michigan University
- Computing pKa shifts of turkey ovomuvoid third domain (OMTKY3)
- residues with a polarizable force field
The Fall 2006 winners were:
- Hendrik Heinz
- University of Akron, Department of Polymer Engineering
- Force Fields for Inorganic Components in Hybrid Systems
- David van der Spoel
- University of Uppsala, Department of Cell and Molecular Biology
- Protein Folding Properties from Molecular Dynamics Simulations
- Henryk Witek
- National Chiao Tung University, Department of Applied Chemisty
- Relativistic parameterization of the SCC-DFTB method
- Anatoly Ruvinsky
- University of Kansas, Center for Bioinformatics
- Novel statistical-thermodynamic method for computation of
- protein-ligand binding entropy: docking test with 11 scoring functions
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.
