Departments of Computer Science, Mathematics, and Scientific Computing
Florida State University
Novel Stochastic Methods in Biochemical Electrostatics
Friday 7 May 2010, 2:00 pm, EMS E495A
In this talk, I will discuss our recent work on fast algorithms and their applications in molecular dynamics simulations. I will focus on the efficient simulation of the electrostatics in biomolecular systems and a new class of time stepping schemes which can be coupled with fast elliptic equation solvers for long-time large-scale simulations. I will discuss the mathematical foundations for these algorithms, and present preliminary numerical results to demonstrate their accuracy and efficiency.
Refreshments will be provided in EMS E495B at 1:30 pm.
Random Number Generation: A Practitioner's Overview
Thursday, May 6, 2010, 2:00 pm, EMS 715
We will look at random number generation from the point-of-view of Monte Carlo computations. Thus, we will examine several serial methods of pseudorandom number generation and two different parallelization techniques. Among the techniques discussed with be "parameterization," which forms the basis for the Scalable Parallel Random Number Generators (SPRNG <http://sprng.org/> ) library. SPRNG was developed several years ago by the author, and has become widely used within the international Monte Carlo community. SPRNG is briefly described, and the lecture ends with a short revue of quasirandom number generation. Quasirandom numbers offer many Monte Carlo applications the advantage of superior convergence rates.