Research • Reports | Announcements | Moodle
© Centre for Modeling & Simulation, Savitribai Phule Pune University
| Savitribai Phule Pune University |
| Title | Understanding energetic solids from computations |
| Speaker |
GS Vaitheeswaran,
ACRHEM, University of Hyderabad
Prof. GS Vaitheeswaran is a Professor of Physics at the Advanced Centre of Research in High Energy Materials (ACRHEM), University of Hyderabad. |
| Date & Time | Tuesday, 18 February 2020 | 15:00-16:00 |
| Venue | Kelkar Lab, CMS |
| Abstract | Energetic materials with high performance, low sensitivity and being eco-friendly are important for both civil and military applications. Computer simulations can provide prior description of fundamental properties leading to suitable application of an energetic material. The present talk mainly focuses on the effect on pressure in understanding the structural, lattice dynamics and spectroscopic properties of various energetic solids using advanced density functional theory methods. Few case studies will be discussed to illustrate the role of dispersive interactions, pressure induced structural transitions and vibrational properties of energetic materials. |
| Organizer/Host | Ankita Katre and Bhalchandra Pujari |
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