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Center for Nonlinear Studies |
The use of traditional tools, such as Molecular Dynamics, to simulate the long-time behavior of viruses has proven infeasible as the computational time required to obtain accurate results for the scales of biological interest is on the order of decades or centuries. Using models rooted in statistical mechanics, tools from differential equations and stochastic analysis, and multiscale numerical methods, we have recently developed analytic and computational techniques which greatly improve upon this problem by introducing and tracking slowly-varying quantities that account for the large-scale dynamics of the viral system. These methods decrease computational time to the order of hours, thereby rendering such simulations feasible for the first time. I'll speak mostly regarding the analytic portion of this continuing project, which represents collaborative work with Peter Ortoleva and various members of the Center for Cell and Virus Theory at Indiana University.
Host: Ivan Christov