OpenScience / Software / Chemistry / Theoretical and Computational / Monte Carlo methods

Towhee is a Monte Carlo molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based force fields and the Gibbs ensemble with particular attention paid to algorithms addressing molecule conformation sampling. The code has subsequently been … Continue reading →

Beyond Impressive Goals of Mechanical Artificial Computations (i.e. a general purpose Configurational Bias Monte Carlo Code) Find BIGMAC at: http://molsim.chem.uva.nl/bigmac/