Fall 2022 Schedule

• (Monday) August 29, 2022 – Organizational meeting with lunch
• Friday September 9, 2022 – Natalie Holzwarth will coordinate a discussion about useful resources for condensed matter research available on the internet – such as The Materials Project – https://materialsproject.org/, The Bilbao Crystallography Server https://www.cryst.ehu.es/, ICSD (Inorganic Crystal Structure Database) https://icsd.fiz-karlsruhe.de/, and many others
• Friday September 16, 2022 – Stephen Winter will make a tutorial presentation in order to introduce quantum magnetism and spin liquids
• Friday September 23, 2022 -- Owen Ganter and Chao Shang - “Investigation of the Magnetic and Electronic Structure of Iridium Tetrafluoride”
• Friday September 30, 2022 -- Dominique Itanze – Presentation of slides pertaining to ECS poster on “Understanding the Mechanism of Butanol Formation from CO2 Reduction on Phosphorus Rich Copper Catalyst, CuP2, by Computer Simulations Based on Joint Density Functional Theory” and background literature discussion on “The electrochemical interface in first-principles calculations” by K Schwarz and R Sundararaman DOI: 10.1016/j.surfrep.2020.100492
• October 7, 2022 – Cory Lynch – Practice talk for ECS meeting in Atlanta GA on Oct. 9, 2022 – “Simulations and Analyses of Li4 and Li6 Boracites and Thioboraocites As Promising Li Ion Conducting Electrolytes”
• Friday October 14, 2022 – Fall break
• Friday October 21, 2022 -- Haardik Pandey -- “An overview of Conducting Metal Organic Frameworks based on the publication from the website Electrically Conductive Metal–Organic Frameworks" -- https://pubs.acs.org/doi/10.1021/acs.chemrev.9b00766.
• Friday October 28, 2022 -- Trevor Jenkins -- "An overview of the new vdW-DF2-ahbr hybrid functional" as presented in the paper "Accurate Nonempirical Range-Separated Hybrid van der Waals Density Functional for Complex Molecular Problems, Solids, and Surfaces" DOI: 10.1103/PhysRevX.12.041003
• Friday November 4, 2022 -- Banasree Sarkar Mou -- "Hopping integral and different methods of approaching it"
• Friday November 11, 2022 -- Timothy Carlson -- "Magnetic Force Microscopy of Topological Insulators- a Search for Persistent Current"
• Friday November 18, 2022 -- Wells Graham – “Examining the Ethane Selective Potential of MOFs for Ethylene Purification" and Ramesh Dhakal – "Ab initio study of stable 3d, 4d, and 5d transition-metal-based quaternary Heusler compounds"
• Friday November 25, 2022 -- Thanksgiving Holiday
• Friday December 2, 2022 -- Saif Ullah --“Water and CO2 coadsorption in TIFSIX-3-Ni: A duel or a duet?”