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.