How can high performance computing help design sustainable polymers?
Dr. Bess Vlaisavljevich, University of South Dakota
Wednesday May 26, 2021
12–1 PM CST
Zoom: https://zoom.us/j/99330960764?pwd=SUlvekVWdmpVN1VYRTZSNHF1SlhLQT09
Description: Computational chemists can provide molecular-level details into catalytic systems. This improves our understanding of both high and low performing catalysts leading to systematic improvements and focusing experimental effort in the areas with the highest potential for sucess. In this talk, I will give an introduction into my scientific background, a brief overview of the research areas in my group, and an example of how our work has contributed to the NSF Center of Sustainable Polymers.
Bio: Bess Vlaisavljevich is from St. Paul, Minnesota. She received her B.A. in chemistry from the University of Minnesota Morris in 2007. She then received her M.Sc. and Ph.D. degrees working with Prof. Laura Gagliardi from the Department of Chemistry at the University of Minnesota Twin Cities in 2010 and 2013, respectively. Her PhD work focused on studying the electronic structure of the f-elements with multiconfigurational methods. Following this, she worked as a postdoctoral scholar at the University of California Berkeley with Prof. Berend Smit using molecular simulation and density functional theory to study gas separations and adsorption in nanoporous materials. Later, at Northwestern University with Prof. Toru Shiozaki, she was involved in developing the (X)MS-CASPT2 analytical gradient code in the program package BAGEL. In 2017, she began her independent career at the University of South Dakota. Her research focuses on using multireference quantum chemistry theories for a variety of problems in transition metal and actinide chemistry. She was recently awarded the President’s research award for her efforts.
As a reminder, GPN-WHPC will have open discussions every second Wednesday of the month and a speaker every fourth Wednesday, both running from 12–1 PM CST and will use the same room for all WHPC meetings.
GPN Annual Meeting
June 2-4, 2021
Please join GPN-WHPC for the GPN 2021 Virtual Annual Meeting, this year conducted completely online due to the restrictions from the COVID-19 pandemic. GPN-WHPC's focus is on expanding the use of advanced networking and high-performance computing to spur innovation and research opportunities within the member states of the Great Plains Network.
More information, registration (free), and a full schedule of speakers, panels, breakout sessions, lightning talks, and workshops can be found here.
GPN-WHPC members will also be a part of a panel presentation and hosting a BOF conversation.