Spring 2022 Schedule

• Monday, Jan 24, 2022 -- Natalie Holzwarth – Leading a discussion of a recent Science article from the “DeepMind” organization which has used machine learning to find a efficacious functional for density functional calculations for quantum chemistry calculations. DOI: 10.1126/science.abj6511
• Monday, Jan 31, 2022 -- Updates and discussion on the DEAC Computer Cluster – Adam Carlson, Sean Anderson, and Cody Stevens
• Monday, Feb 7, 2022 -- Open discussion following refreshments outside Olin or under tent
• Monday, Feb 14, 2022 -- March meeting practice talks I – Stephen Winter and Trevor Jenkins
• Monday, Feb 21, 2022 -- March meeting practice talks II – Haardik Pandey, Saif Ullah, and Timo Thonhauser
• Monday, Feb 28, 2022 – Ajay Kandada: Spectroscopy with Quantum Light - Opportunities and Challenges
• Monday, Mar 7, 2022 -- Spring break
• Monday, Mar 14, 2022 -- March meeting
• Monday, Mar 21, 2022 -- Steve Winter; March meeting invited talk and further discussion
• Monday, Mar 28, 2022 -- Trevor Jenkins -- "Benchmark Analysis of Graphene Adsorption Systems & Development of a vdW-DF Functional for Molecular Crystals.”
• Monday, Apr 4, 2022 -- Haardik Pandey -- discussion of two literature papers : "Electronegativity and chemical hardness of elements under pressure" – https://doi.org/10.1073/pnas.2117416119 and "First-Principles Multiscale Modeling of Mechanical Properties in Graphene/Borophene Heterostructures Empowered by Machine-Learning Interatomic Potentials" – https://dx.doi.org/10.1002/adma.202102807 .
• Monday, Apr 11, 2022 -- Owen Ganter --“The application of data science to materials databases: A review”
• Monday, Apr 18, 2022 -- Ramesh Dhakal – “Effect of doping and lattice variation on the properties of Heusler Alloys” and Wells Graham – “On the ab initio description of electronic stopping of nuclei projectiles in matter” as referenced in the preprint: https://arxiv.org/abs/2203.15842
• Monday, Apr 25, 2022 -- Cory Lynch -- “Investigation of experimental and predicted boracite materials as potential solid-state electrolytes”