Spring 2017 Schedule: Mondays 1:00-2:15 PM in Olin 102

Some possible papers for discussion are collected in the googledocs folder: (link) Some guidelines for preparing a talk are given in the googledoc: (link)

Please contact N. Holzwarth to add or change schedule / (or use equivalent shared googledoc).

• September 4, 2017 -- Timo Thonhauser -- "Capturing van der Waals Interactions in DFT Through Non-Local Exchange and Correlation"
• September 11, 2017 -- Jason - “kinetic Monte Carlo in application to study of convergence behavior of diffusion coefficients in a lattice system”
• September 18, 2017 -- Stephanie -- "Unique magnetic induced properties in metallocene adsorbed M-MOF74"
• September 25, 2017 -- Natalie -- “Discussion about the meta-GGA SCAN functions”
• October 2, 2017 -- (Jason and Natalie away for ECS meeting)
• October 9, 2017 -- Akbar Salam - Molecular QED Theory of Inter-Particle Interactions
• October 16, 2017 -- Ahmad -- “Ab initio simulation of Idealized solid electrolytes in Li-Ion Batteries”
• October 23, 2017 -- Jason -- "Simulations of materials properties using first principles thermodynamics: application to solid state electrodes and electrolytes"
• October 30, 2017 -- General discussion on possibilities for developing course materials for materials computations
• November 6, 2017 -- Sharing of computational methods including favorite tricks, etc.
• November 13, 2017 -- No meeting.
• November 20, 2017 -- Adam Carlson and Cody Stevens, DEAC administrators will present some information about the cluster
• November 27, 2017 -- No meeting.
• December 4, 2017 -- Timo and Natalie will lead a discussion of the famous papers from 1964 and 1965 by Hohenberg and Kohn and Kohn and Sham