My next Molecular Dynamics Workshop
The day after tomorrow, the Free energy calculations for chemical and biological systems workshopwill begin at IIT, Kanpur. I have got selected for it! And I am very excited to learn new stuff and meet pioneers in the field. This workshop is from 17th to 22nd March. I am leaving to Kanpur via Lucknow tomorrow. Will be back at Chennai on 23rd.
This program focus on these topics:
- Global Tempering Methods
- Parallel tempering, Hamiltonian replica exchange
- Alchemical Methods
- Thermodynamics Integration and Free Energy Perturbation
- Free Energy Calculations using Collective Variables
- Umbrella Sampling, Blue-Moon Sampling, Metadynamics, Temperature Accelerated Molecular Dynamics (TAMD), Temperature Accelerated Sliced Sampling (TASS)
- Transition Path Sampling, Sampling Reaction Pathways, Computation of Rates
There will hands-on sessions too. They will use tools like Gromacs, Amber etc it seems. Hopefully, I might write about something from this workshop here on STEEM blockchain.
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