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© Centre for Modeling & Simulation, Savitribai Phule Pune University
| Savitribai Phule Pune University |
In last few years, the possibility of growing quantum structures of semiconductors with varying composition in a controlled way has been demonstrated. It has opened a way to conceive new electronic devices and materials for better performance of existing devices. With increasing computational power and good simulation techniques, theorists are trying to lead in predicting the properties of such new materials even before the materials are actually fabricated. Such simulation studies help to understand the interactions in materials at atomic/electronic level and help in designing usable materials, in addition to saving efforts, time and money.
Atomistic simulations are playing an increasingly important role in computational materials science. The success of any simulation depends crucially on the interatomic potentials used in the simulations. One approach is the first-principles molecular dynamics where the atomic interactions are accurately described, but it is computationally very demanding. At the other end are empirical potentials that provide the results very fast but are derived from experimental inputs or from methods like embedded atom or effective medium theory. Tight binding molecular dynamics (TBMD) is a scheme which is intermediate, about two to three orders of magnitude faster than ab initio methods but describing the electronic structure quite accurately. In the present project, we propose to develop real-space TBMD program to determine the probable ground state geometry and hence the related electronic properties of II-VI semiconductor nano-crystals. The work is being carried out in collaboration with Professor D.D. Sarma of I.I.Sc., Bangalore.
M.Sc. (Physics or Chemistry) with good knowledge of quantum mechanics and some experience of working with any programming language and linux operating system. Must be enthusiastic to learn programming skills. If the candidate wishes to register for a doctoral degree, he/she will have to clear CSIR-UGC NET. A possibility of continuation of fellowship for next 3 years with a DST sponsored project exists.
Candidates can correspond through e-mail with me. If you require any other input, please let me know. Phone: (20).2569.2678, 2569.1709, 2569.1712 extn 317 (on all three lines). Residence Phone: (20).2588.2217. Fax: (20).2569.1684. E-mail: anjali@physics.unipune.ac.in. Mail: Dr. Anjali Kshirsagar, Reader, Department of Physics, Savitribai Phule Pune University, Pune 411007.