Title: New Computational Methods in Quantum Dynamics, and Molecular Applications Brief Abstract: Accurate quantum dynamics calculations of molecular systems, for which both nuclear and electronic degrees of freedom are treated quantum mechanically, are notoriously challenging to perform, even on modern-day computers. However, such calculations are essential for answering fundamental dynamical questions that cannot be resolved any other way (e.g. via classical simulation). This talk addresses new methodologies and algorithmic developments that provide orders-of-magnitude improvements in computational efficiency, thus allowing accurate quantum dynamics calculations to be performed for larger and more complex systems than previously considered. CSRI POC: Richard Lehoucq, (505) 845-8929 |