Talks
Talks, webinars, and lectures
Slides are available on request; recent ALCF webinars are recorded on the ALCF YouTube channel.
2026
- Invited
AI, Agents, and Supercomputers: A Changing Paradigm for Scientific Computing
Physics Department Colloquium, Indiana University Indianapolis · Indianapolis, IN - Workshop
Evaluating Large Language Models for HPC Education
DOE Intro to HPC Bootcamp, Project 6 - Lecture
Agentic AI for Science
AI Summer Camp, high-school session · Lemont, ILFrom chatbots that talk to AI agents that act, experiment, and help discover.
- Workshop
Enabling Autonomous Scientific Discovery Through Agentic AI and High-Performance Computing
TPC26 DWARF Workshop, Trillion Parameter Consortium - Invited
ChemGraph: Agentic AI Coupled to HPC for Autonomous Discovery
TPC26, Trillion Parameter Consortium - Poster
An Agentic Framework for Computational Chemistry Workflows
SciFM 2026 (Scientific Foundation Models) - Contributed
Agentic AI for Chemistry and Materials Science
Perspectives on AI in Computational Sciences · Argonne National Laboratory, Lemont, IL
2025
- Invited
AI for Chemistry
Governors State University Chemistry Club seminar · virtual - Lecture
ChemGraph: Agentic AI for Computational Chemistry
Guest lecture, CMSC 35370, University of Chicago · Chicago, IL - Contributed
ChemGraph Benchmark for Chemistry and Materials Science
Argonne National Laboratory · Lemont, ILWith Thang D. Pham.
- Contributed
Agentic AI for Scientific Workflows
Argonne National Laboratory · Lemont, ILWith Thang D. Pham.
- Workshop
Introduction to Molecular Design with ChemGraph
DOE Intro to HPC Bootcamp - Invited
Transforming Computational Chemistry with Artificial Intelligence and Exascale Computing
University of Maryland, Baltimore County · Baltimore, MD
2024
- Lecture
Artificial Intelligence for Molecules and Materials in the Exascale Era
Student Lecture Series, Argonne National Laboratory · Lemont, IL - Workshop
Hands-on Getting Started on Polaris Workshop
UIC ACER – ALCF Lighthouse Initiative · Chicago, IL - Invited
Transforming Computational Chemistry with Artificial Intelligence and Exascale Computing
University of Illinois Chicago · Chicago, IL - Webinar
Getting Started on ALCF Systems: Technical Overview
UIC ACER – ALCF Lighthouse Initiative (virtual) · Virtual
2023
- Webinar
Interactive High-Performance Computing with ALCF JupyterHub
ALCF Developer Sessions · Virtual - Workshop
AI-Powered Analysis of Renewable Energy Laws
DOE Intro to HPC Bootcamp - Invited
Machine Learning for Molecules and Materials in the Exascale Era
Stevens Institute of Technology · Hoboken, NJ - Contributed
Quantum Chemistry and Machine Learning for the Carbon Negative Shot
Argonne Energy Earthshots Science Slam · Lemont, IL
2022
- Invited
Machine Learning Potentials for 2D Materials
Molecular Materials Group Meeting, Argonne · Lemont, IL
2021
- Invited
Machine Learning and High-Performance Computing for Material Science
Magnetic Properties from First Principles Workshop (virtual) · Virtual - Invited
Machine Learning Potentials for Molecules and Materials
CNM Theory and Modeling Seminar, Argonne · Lemont, IL - Webinar
Interactive Computing for HPC with Jupyter
ALCF Developer Sessions · Virtual
2020
- Contributed
Gaussian Approximation and Neural Network Potentials for Molecules and Materials
LDRD Expedition Day, Argonne National Laboratory · Lemont, IL - Invited
Distributed Deep Learning and Neural Network Potentials for Quantum Chemistry
AI & HPC Seminar, Argonne National Laboratory · Virtual - Invited
NWChemEx: Computational Chemistry for the Exascale Era
ECP Industry Council Deep Dive Meeting · Virtual
2019
- Contributed
Distributed Training of Flood-Filling Networks for Connectomics
SC19 Workshop on Deep Learning on Supercomputers (DLS) · Denver, CO - Invited
Computational Physics in the Exascale Era: Opportunities and Challenges
Physics Department Colloquium, University of Maryland, Baltimore County · Baltimore, MD - Workshop
Using Containers on Theta
ALCF Simulation, Data, and Learning Workshop · Lemont, IL - Contributed
Facing Exascale and Big Data Challenges with Modular Software, Resilient Workflows and Productivity Tools
ACS Spring National Meeting · Orlando, FL - Invited
Quantum Chemistry with High Performance Computing and Data Science: Opportunities and Challenges
University of Missouri–Kansas City · Kansas City, MO
2018
- Workshop
Using Containers on Theta
ALCF Simulation, Data, and Learning Workshop · Lemont, IL - Invited
SLEPc-SIPs: Massively Parallel Sparse Eigensolver for Electronic Structure Calculations
MolSSI Workshop / ELSI Conference - Contributed
Predictive Automated Combustion Chemistry: Massively Parallel High-Throughput Thermochemistry
APS March Meeting · Los Angeles, CA - Workshop
Using Containers on Theta
ALCF Simulation, Data, and Learning Workshop · Lemont, IL
2017
- Invited
Toward Exascale Quantum Chemistry with Sparse Eigensolvers and Scalable Workflows
ALCF Seminar, Argonne National Laboratory · Lemont, IL - Invited
Toward Exascale Quantum Chemistry with Sparse Eigensolvers
LDRD Seminar, Argonne National Laboratory · Lemont, IL - Contributed
Massively Parallel Spectrum Slicing Eigensolver for Ab Initio Calculations
APS March Meeting · New Orleans, LA
2016
- Workshop
Extreme Scale Quantum Chemistry with Sparse Eigensolvers and Parameterization
Intel Xeon Phi Users Group Meeting, ALCF · Lemont, IL - Invited
SIPs: A Massively Parallel Eigensolver for Quantum Chemistry
University of Illinois at Urbana-Champaign · Urbana, IL - Invited
High-Performance Chemistry for the Challenges of the 21st Century
Middle East Technical University · Ankara, Turkey - Workshop
Scaling Quantum Chemistry Applications on Mira
ALCF Workshop: Scaling Your Science on Mira · Lemont, IL - Invited
Enabling Extreme Scale Applications for Quantum Chemistry
Q-Chem Inc. · Pleasanton, CA
2015
- Poster
Scalability of Shift-and-Invert Parallel Spectral Transformations for Quantum Chemistry Applications
PETSc User Meeting · Lemont, IL - Contributed
Enabling Extreme Scale Applications in Material Science and Quantum Chemistry
Argonne Postdoctoral Seminar · Lemont, IL - Contributed
Exploiting Sparsity to Enable Petascale Applications in Material Science and Quantum Chemistry
ACS Spring National Meeting · Denver, CO - Contributed
A Scalable Sparse Eigensolver for Petascale Applications
APS March Meeting · San Antonio, TX
2013
- Invited
Vibrational Many-Body Methods for Molecules and Extended Systems
Argonne National Laboratory · Lemont, IL - Invited
Vibrational Many-Body Methods for Molecules and Extended Systems
Schrödinger Inc. · New York, NY
2012
- Invited
Vibrational Many-Body Methods for Molecules and Extended Systems
Markland Group, Stanford University · Stanford, CA - Invited
Vibrational Many-Body Methods for Molecules and Extended Systems
Galli Group, University of California, Davis · Davis, CA - Invited
Vibrational Many-Body Methods for Molecules and Extended Systems
Furche Group, University of California, Irvine · Irvine, CA - Invited
Vibrational Many-Body Methods for Molecules and Extended Systems
Massachusetts Institute of Technology · Cambridge, MA
2010
- Contributed
Ab Initio Study of Anharmonic Vibrations for Polymers
APS March Meeting · Portland, OR
2009
- Poster
Anharmonic Vibrational Frequencies of Combustion Species (first place, poster competition)
18th Conference on Current Trends in Computational Chemistry · Jackson, MS
2008
- Poster
Poster presentation
World Congress of WATOC · Sydney, Australia