Contact Information
University of South Florida
Department of Chemistry
4202 E. Fowler Avenue
Office/Lab: CHE 202C
Tampa, FL 33620-5250
Phone: (813) 765-4846
Lab: (813) 974-9841
Email: space@cas.usf.edu
Boston University, B.Sc., 1988
Boston University, Ph.D.,
1992
Research Areas:
We are a theoretical chemistry group concerned
primarily with computer simulation of condensed phase phenomena. A main
research thrust of my group is the
development and application of instantaneous normal mode and time
correlation function methods to model liquid state vibrational
spectroscopy. We have found that these (semi)classical methods can be
successfully applied in a complimentary fashion to understand intramolecular vibrations in the condensed phase. We also develop new and
improved semiclassical approaches. We are also interested in the low
frequency portions of the spectrum where there is still uncertainty as to
what information these ever changing low frequency modes might relinquish!
This is work being pursued with Preston Moore, who is a very talented
researcher working as an Associate Professor of Chemistry at the
University of the Sciences in Philadelphia. Dr. Preston Moore
If you have an interest in instantaneous normal modes, also check out the home page of Professor Tom Keyes at Boston University: Prof. Thomas Keyes
More information can be found by using the buttons on the top left!
Group Photo!
|
From left to right are Tony Green, Jarmymar Vazquez, Christine Neipert, Ben Roney, Russell DeVane, Brian Space, Abe Stern, Angela Perry, and Christina Kasprzyk. All the students are graduate students, except for our Nanotechnology REU student, Jary, who is visiting us from the University of Puerto Rico! |
Here are a couple of pictures of some of our computational resources located in the library at USF. This includes a 42 node Beowulf Class cluster computer. Each node has dual 2.66 Pentium 4 Xeon processors and 2.0 GB of memory. Another system is currently made up of two main parts, the High-Throughput Grid, which is supported by Condor and over 130 Intel Pentium 4-based computer lab machines, and the High-Performance Cluster Grid, which currently contains 49 compute nodes and 4 file server nodes in single, dual, and shared memory processor configurations. |
