New approaches in simulation of transition paths

Yuehaw Khoo
University of Chicago
5747 S Ellis Ave, Suite 222

Tensor method can be used for compressing high-dimensional functions arising from partial differential equations (PDE). In this talk, we focus on using these methods for the simulation of transition processes between metastable states in chemistry applications, for example in molecular dynamics. To this end, we also propose a novel generative modeling procedure using tensor-network without the use of any optimization.

Back to Long Programs