Congratulations to Andrew Paluch for winning the 2011 AIChE Computational Molecular Science and Engineering Forum (CoMSEF) graduate student award at the recent AIChE meeting in Minneapolis! The award is intended to "reward significant contributions to research in computational molcular science and engineering by students". Andrew received a plaque and honorarium for his work on using simulations and theory to predict the solubility of complex molecules in solution.
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.