The National Institute of Technology (NIT), Rourkela is organizing an Online Workshop on Molecular Modeling of Materials & Biological Molecules from September 22 to 26, 2020.
The 5-days workshop would provide essential information on the basics of molecular modeling techniques to the faculties and young researchers who want to gain experience in the areas of molecular modeling including biological, physical, and chemical sciences, metallurgical, and material engineering.
The tutorial session of the workshop will cover the basic principles and advance simulation techniques to determine various physicochemical properties in materials science and will introduce basics of length and time scales challenges, atomistic, ab-initio, and coarse-grained simulations, etc.
- Atomic-scale materials modeling: Tutorial session using VASP; Tutorial session using Materials Studio
- Modeling and simulations of biomacromolecules: Tutorial session using AMBER and NAMD.
- Electronic structure theory-based modeling: Tutorial session using GAUSSIAN program: Optimization, UV spectra, NMR properties; Input files preparation, and analysis of results.
- Discussion with the panel members.
Faculties of Engineering and Science Colleges interested in teaching Computational Chemistry, Computational Physics, Computational Biology, Computational Metallurgical, and Materials Sciences and Engineering, Computational Nanomaterial; Advanced Post-Graduate Students in Science and Engineering. The number of participants is limited to 100.
- There is no registration fee for the workshop.
- To register for the workshop, click here.
- E-certificate will be provided to the registered participants at the end of the entire workshop.
- The last date to register is September 20, 2020.
- The meeting link will be shared to the registered participants.
Email ID: madhurima.mml@gmailcom
For full notification, click the link below.