Advanced Algorithms for Simulating the Dynamics of Biological Systems

Prof. Jingfang Huang

University of North Carolina at Chapel Hill
Friday, March 12, 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.

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