Jindal Shah's paper published in J. Chem. Phys.



Jindal Shah has published a paper in Journal of Chemical Physics that solves several key problems associated with performing Monte Carlo simulations on complex molecules. A simple and easily implemented algorithm is described that enables configurational-bias sampling of molecules containing branch points with endocyclic and exocyclic atoms.

Click here for the link.


Edward Maginn 2014ed@nd.edu