(109g) ExEDOS to SSAGES to NETS - Advanced Sampling of Soft Materials and Chemical Engineering Applications

Advanced sampling is an indispensable tool in molecular simulations, enabling the resolution of complex material properties and fundamental molecular processes. This talk will present a brief retrospective of the role of advanced sampling in materials science and chemical engineering, an overview of key applications, and new directions in sampling and software that are being pursued. There will be a focus on projects explored by the Midwest Integrated Center for Computational Materials (MICCoM) and fundamental contributions from Prof. de Pablo and collaborators, with additional discussion of the current state-of-the-art within the field.