Oct. 12: Bayesian uncertainty quantification and propagation in molecular dynamics simulations: A high performance computing framework published in Journal of Chemical Physics

Angelikopoulos P., Papadimitriou C., and Koumoutsakos, P. Bayesian uncertainty quantification and propagation in molecular dynamics simulations : A high performance computing framework. Journal of Chemical Physics, 37(14):144103, 2012.  (pdf)