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Siddharth Dasgupta

Director, 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 Force Fields for Molecular Simulations

The Hessian Biased Force Field (HBFF) Method [J. Chem. Phys. 90, 7207 (1989)] was developed to generate vibratioally accurate force fields for simulation. Recent modifications include the SVD(Singluar Value Decompositon) method for force field optimizations. [submitted to J. Chem. Phys. ]


o Proteins and Biological Macromolecules


o Polymers

Using vibrationally accurate force fields, we have simulated the properties of a variety of polymers which include:


o Molecular Dynamics of Very Large Systems on Massively Parallel Machines


o Mechanism of Organic BEDT-TTF Based Superconductors BEDT-TTF [J. Am. Chem. Soc. 117, 8154 (1995)]

Recent Publications

Originally from INDIA

Home of the Taj Mahal

The Taj

From the State of - West Bengal

Siddharth Dasgupta
139-74, Beckman Institute
CALTECH, Pasadena, CA 91125
United States of America
E-mail: sdg@wag.caltech.edu
Tel: (818) 395-2725/2720
Fax: (818) 585-0918