Centre for Modeling & Simulation
Savitribai Phule Pune University

Project Description: Ab initio investigations of bulk structures and clusters of transition metal aluminide

Investigator

Vaishali Shah, Institute of Bioinformatics and Biotechnology

Project Summary

This project involves development of interatomic potentials based on density functional theory for binary and ternary compounds of transition metal aluminide alloys. Of particular interest to us are investigations into the bulk phases of these alloys. A part of the project also involves studying the ground state and thermodynamic properties of small clusters of transition metal aluminides. Interactions of transition metals with biomolecules may also be looked at.

Recent Publications of the Investigator

Can be found here.

Qualifications

Candidate must have obtained a Masters Degree in Physics, Chemistry, Materials Engineering, Chemical Engineering or a related field within the last 2 years, with minimum 55% or equivalent grade. Candidates who have appeared for their degree examination this year in 2004 are eligible to apply. Candidates with some experience in programming using Fortran or C are preferable. Knowledge of molecular dynamics simulations is desirable.

Additional Information

This is an interdisciplinary project involving collaborators from Physics, Bioinformatics and Biotechnology as well as Materials Engineering backgrounds. For successful co-operation with collaborators, good interpersonal and communication skills are necessary.

Two positions are available immediately. Funding for one year is available at present. Possibility of continuation beyond one year will depend on the availability of funding as well as performance of the fellow. Fellows are encouraged to get CSIR NET-UGC fellowships during this one year.


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