Applied/ACMS/absF11: Difference between revisions

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| bgcolor="#DDDDDD" align="center"| '''Time Dependent Semiclassical Quantum Dynamics:  Analysis and
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Numerical Algorithms
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Revision as of 14:53, 19 September 2011

Sigurd Angenent, UW-Madison

Deterministic and random models for polarization in yeast cells

I'll present one of the existing models for "polarization in yeast cells." The heuristic description of the model allows at least two mathematical formulations, one using pdes (a reaction diffusion equation) and one using stochastic particle processes, which give different predictions for what will happen. The model is simple enough to understand and explain why this is so.


John Finn, Los Alamos

Symplectic integrators with adaptive time steps

TBA


Jay Bardhan, Rush Univ

Understanding Protein Electrostatics using Boundary-Integral Equations

The electrostatic interactions between biological molecules play important roles determining their structure and function, but are challenging to model because they depend on the collective response of thousands of surrounding water molecules. Continuum electrostatic theory -- e.g., the Poisson equation -- offers a successful and simple theory for biomolecule science and engineering, and boundary-integral equation formulations of the problem offer several theoretical and computational advantages. In this talk, I will highlight some recent modeling advances derived from the boundary-integral perspective, which have important applications in biophysics and whose mathematical foundations may be useful in other domains as well. First, one may derive a fast electrostatic model that resembles Generalized Born theory, but is based on a rigorous operator approximation for rapid, accurate estimation of a Green's function. In addition, we have been exploring a boundary-integral approach to nonlocal continuum theory as a means to model the influence of water structure, an important piece of molecular physics left out of the standard continuum theory.


Omar Morandi, TU Graz

TBA

TBA


George Hagedorn, Virginia Tech

Time Dependent Semiclassical Quantum Dynamics: Analysis and Numerical Algorithms

We begin with some elementary comments about time-dependent quantum mechanics and the role of Planck's constant. We then describe several mathematical results about approximate solutions to the Schr\"odinger equation for small values of the Planck constant. Finally, we discuss numerical difficulties of semiclassical quantum dynamics and algorithms that have recently been developed, including some work in progress.


Qiang Deng, UW-Madison

TBA

TBA


Ray Pierrehumbert, U of Chicago

TBA

TBA


Jianfeng Lu, Courant Institute

TBA

TBA


Anne Shiu, U of Chicago

TBA

TBA


Organizer contact information

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