Group Meetings
Updated January 16, 2025
Spring 2025
Subgroups Meeting Schedule
The subgroup meetings are on Wednesdays from 2:00 pm to 3:00 pm in Chem 262:
- Molecular Crystals: February 5, March 5, April 2, April 16, April 30 (tentative)
- Biomolecules: February 19, March 19, April 9, April 23,
Group Meeting Schedule
The group meetings are on Fridays from 1:00 pm to 3:00 pm in Chem 262.
Journal Club Rotation:
Kriti, Aloka, Pradip, Shikshya, Sara, Kabita, Jaya, Dipesh, Oriana, Logan, Omar
-
May 9, 2025
To be decided -
May 2, 2025
General discussions -
April 25, 2025
Research updates (everyone) -
April 18, 2025
Journal Club - Shikshya
Paper: TBD -
April 11, 2025
Journal Club - Pradip
Paper: TBD -
April 4, 2025
Journal Club - Aloka
Paper: TBD -
March 28, 2025
Journal Club - Kriti
Paper: TBD -
March 21, 2025
Research updates (everyone) -
March 14, 2025
No group meeting - Spring Break -
March 7, 2025
Journal Club - Omar
Paper: Faster Sampling in Molecular Dynamics Simulations with TIP3P‐F Water -
February 28, 2025
No group meeting - Texas Computational Chemistry Symposium at TWU -
February 21, 2025
Practice talks for the Texas Computational Chemistry Symposium -
February 14, 2025
Practice talks for the Texas Computational Chemistry Symposium -
February 7, 2025
Journal Club - Logan
Paper: How to train a neural network potential -
January 31, 2025
Research updates (everyone) -
January 24, 2025
No group meeting -
January 17, 2025
General discussions
Fall 2024
The group meetings were on Fridays from 1:00 pm to 2:30 pm in Chem 262.
Journal Club rotation: Kriti, Aloka, Pradip, Shikshya, Sara, Kabita, Jaya, Dipesh, Oriana, Logan, Omar
Group Meeting Schedule
-
December 6, 2024
Research updates (everyone) -
November 29, 2024
No Group Meeting - Thanksgiving Week -
November 22, 2024
Journal Club - Oriana
Paper: Understanding Ring Puckering in Small Molecules and Cyclic Peptides -
November 15, 2024
No Group Meeting - OV away -
November 8, 2024
Journal Club - Dipesh
Paper: Computational screening of the effects of mutations on protein-protein off-rates and dissociation mechanisms by τRAMD -
November 1, 2024
No Group Meeting - OV away -
October 25, 2024
Journal Club - Jaya
Paper: Quantifying Protein-Protein Interactions in Molecular Simulations -
October 18, 2024
Research updates (everyone) -
October 11, 2024
Journal Club - Shikshya
Paper: Enhanced Sampling of Biomolecular Slow Conformational Transitions Using Adaptive Sampling and Machine Learning -
October 4, 2024
No Group Meeting - UNT Research Day -
September 27, 2024
No Group Meeting -
September 20, 2024
Seminar (virtual)
Helgi I. Ingólfsson, Lawrence Livermore National Laboratory
Machine Learning-Driven Multiscale Simulations for Mapping Protein Conformational Transitions, showcased for RAS-RAF Activation -
September 13, 2024
Seminar (in person)
Guru Khalsa, UNT Department of Physics
Ultrafast symmetry control in crystalline materials with light -
September 6, 2024
Journal Club - Pradip
Paper: Machine Learning Nucleation Collective Variables with Graph Neural Networks -
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