talks
Invited talks, conference presentations, and posters in reverse chronological order.
2026
- Multi-Agent Orchestration for High-Throughput Materials Screening on a Leadership-Class System, Hamburg, GermanyISC High Performance 2026, Second International Workshop on Foundational Large Language Models Advances for HPC , Jun 2026
- Agentic Workflows, Lemont, IL2026 ALCF INCITE GPU Hackathon , Apr 2026
- Agentic AI Workflows for Scientific Discovery, Chicago, ILInvited talk, DemonHacks, DePaul University , Feb 2026
2025
- Agentic Workflows, Lemont, ILAdvanced Topics in AI for Science: A Student Training Series , Oct 2025
- ChemGraph: An Agentic Framework for Computational Chemistry, San Jose, CATrillion Parameter Consortium (TPC25) , Jul 2025
- ChemGraph: An Agentic Framework for Computational Chemistry, Lemont, ILPoster presentation, CELS Staff Poster Presentations , Jul 2025
2024
- Using Data Mining and Large Language Models for a Large-Scale Comparison of Adsorption from Molecular Simulation and Experiment, Evanston, ILContext, Connections, and Community (C3) Symposium , Jul 2024
- Predicting Partial Atomic Charges in Metal-Organic Frameworks: An Extension to Ionic MOFs with Extra-framework Ions, Minneapolis, MNPresentation, CDPM Collaboration Meeting , Feb 2024
2023
- Investigation of Room Temperature Hydrogen Storage Using Anionic Metal-Organic Frameworks with Extra-Framework Cations, Orlando, FLAIChE Annual Meeting 2023 , Oct 2023
2022
- CO2 Capture in Metal-Organic Frameworks via Genetic Algorithms, Phoenix, AZAIChE Annual Meeting 2022 , Oct 2022
- Optimization Methods for CO2 Capture in Metal-Organic Frameworks, Delavan, WIPoster presentation, FOMMS Meeting 2022 , Jul 2022
2019
- Efficient Strategies for Modeling Polaron, Worcester, MAMajor Qualifying Project Presentation , May 2019