Speaker
Description
Understanding and modeling the nonequilibrium dynamics of many-body
quantum systems is a crucial goal for many fields in physics and
chemistry. Examples include scattering of molecules off metal surfaces,
charge transport through molecular nanojunctions, spintronics, and
molecular photophysics. This motivates the development of sophisticated
theories capable of treating not only the large-dimensional nature of
molecular systems but also inelastic interactions and nonequilibrium
conditions. Even with sophisticated theory, nonequilibrium calculations
of realistic systems require efficient numerical implementations and,
even then, significant computational resources. In this contribution,
we will introduce our work and how it is implemented on the bwHPC, as
well as some particular examples highlighting the unique physics and
challenges we face when modeling nonequilibrium dynamics of many-body
quantum systems.
