“Peter Kollman Graduate Award in Supercomputing” to be awarded at the ACS National Meeting.
Applications are open for awards from the ACS Division of Computers in
Chemistry and the National Institute of Computational Sciences (NICS),
to be awarded at the Indianapolis, Indiana September 8-12, 2013 national meeting.
The ACS Peter Kollman Graduate Award in Supercomputing has been
created to provide supercomputer resources to outstanding students in
the early stages of their graduate career, particularly for projects
that need high performance computing resources for their
chemistry-related project. Those eligible for the award are graduate
students in good standing who are carrying out research in the broadly
defined area of computational chemistry. Winners (or their adviser, if
necessary) will be the Principal Investigator of a new account on the
“kraken” Cray XT5 supercomputer at the National Institute of
Computational Sciences (NICS), with an allocation of computing time to
support the project. For information about kraken, see
http://www.nics.tennessee.edu/computing-resources/kraken. Allocations
will be determined based on the requested amount and consideration of
resource availability.
Up to 2 awardees will be chosen on the basis of: the significance of
the project plan, potential impact on the project of additional
supercomputer resources, qualifications of the student, and the
strength of the supporting letter and other materials. Projects with
modest computational needs that can be performed on individual
machines or small clusters will likely not be competitive.
Application
requirements include an extended abstract of the work (no more than 1
page), a two page CV, a brief letter of support from the research
advisor, and a 1 page detailed computational plan indicating:
computational resources already available for the project, the types
of calculations to be performed, availability of software,
justification of number and length of runs, parallel scaling data, and
an estimate of the total time needed. Submit the application to
carlos.simmerling@gmail.com as a SINGLE pdf or text file, and include
your last name in the file name. There is a limit of one
Supercomputing Award application per research lab (PI). Previous
winners are not eligible.
The application deadline is 5pm EDT on Wednesday, March 20, 2013. Applicants will
receive email confirmation of receipt of materials. If you do not
receive confirmation by March 20th, please contact the organizer
immediately by telephone (see below).
Winners are encouraged but not required to present their work within
the COMP program at the meeting, either in oral or poster format. If
you want to present your work in an oral or poster presentation, you
must also submit your abstract using the ACS PACS system, prior to the
PACS deadline. Application for the supercomputing award does not
constitute an application for a presentation.
For additional information, contact:
- Carlos Simmerling
- Chair, ACS COMP Division Awards Committee
- Professor, Department of Chemistry
- Stony Brook University
- Stony Brook, NY 11794-3400
- Telephone: 631-632-1336
- carlos.simmerling_AT_gmail.com
Spring 2013 ACS Graduate Student Awards in Supercomputing
Probing Complex Protonation State Equilibria Using Constant pH Replica Exchange Molecular Dynamics in Explicit Solvent
Spring 2012 ACS Graduate Student Awards in Supercomputing
Simulation Studies of Carbon Nanotubes Wrapped by Chiral Poly-Arylene Polymers
Advisor: Jeffery G. Saven
University of Pennsylvania
Fall 2011 ACS Graduate Student Awards in Supercomputing
- Robert Elder
- University of Colorado
Spring 2010 ACS Graduate Student Awards in Supercomputing
- Shruba Gangopadhyay
- Prediction of weak magnetic exchange constant in Mn12(mda) complex using DFT+U
- Advisor: Artëm E. Masunov
- Department of Chemistry, University of Central Florida
-
- Amber Carr
- Examining the Effect of Self-guided Langevin Dynamics on the Thermodynamic Stability and Kinetics of Peptide Folding
- Advisor: Carlos Simmerling
- Department of Chemistry, SUNY Stony Brook
Note: Image, NEK2 kinase, courtesy of Ben Ellingson and Mike Word, OpenEye Scientific Software, all rights reserved.
