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Jim Gerdy

Materials and Molecular Simulation Center
California Institute of Technology
Mail Stop 139-74
Pasadena, CA 91125, USA


(In development)


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Research interests

o Ultrafast Laser Spectroscopy
James J. Gerdy, , M. Dantus, R. M. Bowman, and A. H. Zewail, Chemical Physics Letters vol. 171, No.1-2: pp. 1-4. (1990).

R. M. Bowman, J. J. Gerdy , G. Roberts, and A. H. Zewail, J. Chem. Phys. Vol. 95 No. 12: pp. 4635-4647. (1991).


o Self-Assembled Monolayers Simulations
Atomistic simulations on organic monolayers investigate the packing structures of alkanethiols one gold [111]. The Atomistic Structure for Self-Assembled Monolayers of Alkane Thiols on Au(111) Surfaces. Currently working on force field simulations.


o van der Waals forces
Using quantum chemistry calculations on small clusters we are developing accurate van der Waals potentials for use in molecular simulations Pairwise potentials have been developed for the following cases:

  1. H and He potentials.
  2. A - A potentials for C, N, O, F, Ne, Si, P, S, Cl, and Ar.
  3. A - B potentials for N-Cl, N-P, and P-Cl.
  4. H-A potentials for A=C, N, O, and F.

This is the start of an ongoing effort in the Goddard group to determine van der Waals potentials for simulations using quantum mechanics.

Resume'

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Take a look at these radiation readings from a cross-country flight.

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From the State of - Illinois

Jim Gerdy
139-74, Beckman Institute
CALTECH, Pasadena, CA 91125
United States of America
E-mail: jjg@wag.caltech.edu
Messages: (800) 800-8955
Telephone: (818) 395-2723
FAX: (818) 585-0918