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## Fall 2024

The group meetings take place on Fridays at 1:00-2:30 pm in Chem 262.
The group meetings occur on Fridays from 1:00-2:30 pm in Chem 262.

Journal Club rotation: Kriti, Aloka, Pradip, Shikshya, Jaya, Dipesh, Oriana, Logan, Omar

- October 4, 2024
Journal Club - Shikshya
Paper: TBD

- September 27, 2024
Research updates (everyone)

- September 20, 2024
Seminar by [Helgi I. Ingólfsson]([https://physics.unt.edu/people/guru-khalsa-phd](https://bbs.llnl.gov/HelgiIngolfsson.html), Lawrence Livermore National Laboratory (Virtual)
Title: *Machine Learning-Driven Multiscale Simulations for Mapping Protein Conformational Transitions, showcased for RAS-RAF Activation*

- September 13, 2024
Seminar by [Guru Khalsa](https://physics.unt.edu/people/guru-khalsa-phd), UNT Department of Physics
Seminar by [Guru Khalsa](https://physics.unt.edu/people/guru-khalsa-phd), UNT Department of Physics (In person)
Title: *Ultrafast symmetry control in crystalline materials with light*

- September 6, 2024
Journal Club by Pradip
Paper: Machine Learning Nucleation Collective Variables with Graph Neural Networks (DOI: [10.1021/acs.jctc.3c00722](doi.org/10.1021/acs.jctc.3c00722)
Journal Club - Pradip
Paper: [Machine Learning Nucleation Collective Variables with Graph Neural Networks](doi.org/10.1021/acs.jctc.3c00722)

- August 30, 2024
General discussions

- August 23, 2024
Journal Club - Aloka
Paper: [Calculating Protein–Ligand Residence Times through State Predictive Information Bottleneck Based Enhanced Sampling](doi.org/10.1021/acs.jctc.4c00503)



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