Department of Mathematics & CSCAMM, Univ. of Maryland
REGISTRATION IS CLOSED. Participants were requested to pre-register and confirmation of approved applicants were emailed on or before February 1st. Confirmed participants can access their record at here.
Due to the large number of applications, we regret that RSVP is now closed to new applicants.
This workshop will focus on deterministic and stochastic methods for sparse representations and simulations of quantum transport and quantum reaction dynamics. The aim is to bring together a group of experts in Applied Mathematics, Physics and Theoretical Chemistry to examine the current state of development of numerical techniques and foster interdisciplinary research in the development of computational methods at the interface of quantum and classical dynamics. Fundamental challenges in simulations of quantum dynamics will be addressed within the context of molecular dynamics, including wave-packet propagation methods, density functional theory methods (Car-Parrinello molecular dynamics CPMD), and hybridization of computational schemes linking classical and quantum theories such as quantum-classical coupling, surface-hopping and semiclassical methods.