activity
20242026
most citedHierarchical Multi-agent Large Language Model Reasoning for Autonomous Functional Materials Discovery

1 citations · 1 across the 5 of their papers we have counts for

collaborators

7 papers

physics.chem-ph2026

Differential Learning for Robust Prediction of Thermal Stability with Application to Energetic Materials

Megan C. Davis, R. Seaton Ullberg, Jeremy N. Schroeder +5

Predicting thermal stability during handling and storage is essential for the design of safe and reliable energetic materials. However, experimental measurements vary significantly…

physics.chem-ph2026

Active Learning for Generalizable Detonation Performance Prediction of Energetic Materials

R. Seaton Ullberg, Megan C. Davis, Jeremy N. Schroeder +5

The discovery of new energetic materials is critical for advancing technologies from defense to private industry. However, experimental approaches remain slow and expensive while c…

physics.chem-ph2026

Generative Chemical Language Models for Energetic Materials Discovery

Andrew Salij, R. Seaton Ullberg, Megan C. Davis +5

The discovery of new energetic materials remains a pressing challenge hindered by limited availability of high-quality data. To address this, we have developed generative molecular…

physics.chem-ph2026

Unraveling Structure-Performance Trade-offs in Porous Transport Layers for PEM Water Electrolysis

Navneet Goswami, Sergio Diaz Abad, Jacob S. Spendelow +2

Scalable hydrogen production using proton exchange membrane water electrolyzers depends on overcoming efficiency losses arising from coupled multiphase, multicomponent transport an…

cond-mat.mtrl-sci2025★ 1 cited

Hierarchical Multi-agent Large Language Model Reasoning for Autonomous Functional Materials Discovery

Samuel Rothfarb, Megan C. Davis, Ivana Matanovic +3

Artificial intelligence is reshaping scientific exploration, but most methods automate procedural tasks without engaging in scientific reasoning, limiting autonomy in discovery. We…

physics.optics2025

Hyperspectral Dual-Comb Compressive Imaging for Minimally-Invasive Video-Rate Endomicroscopy

Myoung-Gyun Suh, David Dang, Maodong Gao +6

Endoscopic imaging is essential for real-time visualization of internal organs, yet conventional systems remain bulky, complex, and expensive due to their reliance on large, multi-…

cond-mat.mtrl-sci2024

Design of Amine-Functionalized Materials for Direct Air Capture Using Integrated High-Throughput Calculations and Machine Learning

Megan C. Davis, Wilton J. M. Kort-Kamp, Ivana Matanovic +2

Direct air capture (DAC) of carbon dioxide is a critical technology for mitigating climate change, but current materials face limitations in efficiency and scalability. We discover…