The department of Chemsitry & High Performance Computing group of IIT Kanpur are jointly organized a
workshop on free energy calculations for chemical and biological systems during March 17-22, 2019.
This workshop is focussed on the methods for free energy calculations using molecular dynamics methods.
The lectures and hands-on sessions by the experts are directed to train Ph.D. students and postdoctoral
fellows in free energy calculations. Theoretical background of various methods will be covered in the
lectures. Hands-on sessions will be given using PLUMED and PIMD programs which are interfaced to large
number of molecular simulation programs like GROMACS, AMBER, CP2K, Gaussian, VASP etc.
The information regarding workshop, lecture notes, tutorials used and the photos of workshop are
available at following links:
Workshop Resources Photos Tutorials
Cheers !!!
NNLAB
IIT KANPUR