Speakers
Confirmed Speakers
Evan Antoniuk
Lawrence Livermore National Laboratory
TBD
Masha Babak
City University of Hong Kong
TBD
Sai Harshit Balantrapu
University at Buffalo - SUNY
Neutron and X-ray Diffraction Reveal the Limits of Long-Range Machine Learning Potentials for Medium-Range Order in Silica
Erika Barcelos
Case Western Reserve University
Semantic Data Management with MDS-Onto: Polymer Degradation and Formulation Science Studies
Samuel Blau
Lawrence Berkeley National Laboratory
TBD
Rose Cersonsky
University of Wisconsin-Madison
TBD
Matthew Cox
Massachusetts Institute of Technology
Post-Training Alignment of Scientific Agents Through Composable Workflows
Megan Davis
Los Alamos National Laboratory
TBD
Brian DeCost
NIST
Tools for Automating High Throughput Analysis of Multiphase Powder X-ray Diffraction Data
Industry
Josh Finkelstein
Los Alamos National Laboratory
TBD
Roger French
Case Western Reserve University
TBD
Johannes Hachmann
University at Buffalo
TBD
Raphael Husistein
ETH Zürich
TBD
Jan Janssen
Max Planck Institute for Sustainable Materials
Towards Autonomous Materials Discovery
Hiroyuki Tsujimoto
ENEOS
From Atomistic Understanding toward High-Throughput Discovery: ENEOS's Journey with Matlantis and NVIDIA ALCHEMI
Wonseok Jeong
NIST
Bridging Atomic Simulations and Experimental Time Scales via Deep Reinforcement Learning
Neerav Kaushal
Michigan Technological University
TBD
John Keith
University of Pittsburgh
Post-Semiempirical Methods
Maya Martirossyan
Lila Sciences
TBD
Aditi Krishnapriyan
UC Berkeley
TBD
Jeffrey Law
National Laboratory of the Rockies
Polymer Property Prediction via Automated Molecular Dynamics Pipeline and Transfer Learning
Daniel Levine
Meta
Replacing DFT across the periodic table with machine-learning interatomic potentials
Fang Liu
Emory University
A multi-agent system for autonomous training of machine-learned exciton models
Arun Mannodi-Kanakkithodi
Purdue University
Defect Engineering in Semiconductors using First Principles Simulations and Machine Learning
Sakib Matin
Lawrence Berkeley National Laboratory
TBD
Orlando Mendible Barreto
University of Notre Dame
MLIPs and Agentic AI as Enabling Tools for the Computational Study of Metal-Organic Framework Self-Assembly
Adesh Rohan Mishra
University of California, San Diego
TBD
Avanish Mishra
Los Alamos National Laboratory
TBD
Matous Mrovec
Ruhr-Universität Bochum
TBD
Michele Pavanello
Rutgers University
TBD
Akhil Reddy Peeketi
Los Alamos National Laboratory
Fragment-Constrained Charge Equilibration Enables the Electrochemical Double Layer in MLIPs
Yulia Pimonova
Los Alamos National Laboratory
TBD
Owen Price Skelly
Globulus Labs / University of Chicago
TBD
Josh Rackers
Achira
TBD
Patrick Sahrmann
Los Alamos National Laboratory
Transferable Machine-Learned Coarse-Grained Interaction Potentials via a Thermodynamic Force-Matching Principle
Nathan Szymanski
University of California, Los Angeles
TBD
Thomas Swinburne
University of Michigan
TBD
Henry Tischler
Los Alamos National Laboratory
Generating Molecules with Physics-Constrained Graph Diffusion
Steven Torrisi
Toyota Research Institute
TBD
Quỳnh Trần
Case Western Reserve University
Data-Centric Approach in Molecular Machine Learning: Representation Learning on Massive Multi-Modal Datasets
Hao Wan
University of Toronto
TBD
Jack Weber
Schrödinger
TBD