354 citations · 413 across the 16 of their papers we have counts for
7 papers · 1 filter
Regression with Large Language Models for Materials and Molecular Property Prediction
Ryan Jacobs, Maciej P. Polak, Lane E. Schultz +3
We demonstrate the ability of large language models (LLMs) to perform material and molecular property regression tasks, a significant deviation from the conventional LLM use case.…
Accelerating Domain-Aware Electron Microscopy Analysis Using Deep Learning Models with Synthetic Data and Image-Wide Confidence Scoring
Matthew J. Lynch, Ryan Jacobs, Gabriella Bruno +3
The integration of machine learning (ML) models enhances the efficiency, affordability, and reliability of feature detection in microscopy, yet their development and applicability…
Machine Learning Materials Properties with Accurate Predictions, Uncertainty Estimates, Domain Guidance, and Persistent Online Accessibility
Ryan Jacobs, Lane E. Schultz, Aristana Scourtas +7
One compelling vision of the future of materials discovery and design involves the use of machine learning (ML) models to predict materials properties and then rapidly find materia…
Ultra-fast Oxygen Conduction in Sillén Oxychlorides
Jun Meng, Md Sariful Sheikh, Lane E. Schultz +5
Oxygen ion conductors are crucial for enhancing the efficiency of various clean energy technologies, including fuel cells, batteries, electrolyzers, membranes, sensors, and more. I…
A General Approach for Determining Applicability Domain of Machine Learning Models
Lane E. Schultz, Yiqi Wang, Ryan Jacobs +1
Knowledge of the domain of applicability of a machine learning model is essential to ensuring accurate and reliable model predictions. In this work, we develop a new and general ap…
Accelerating Ensemble Error Bar Prediction with Single Models Fits
Vidit Agrawal, Shixin Zhang, Lane E. Schultz +1
Ensemble models can be used to estimate prediction uncertainties in machine learning models. However, an ensemble of N models is approximately N times more computationally demandin…
Direct evidence of low work function on SrVO cathode using thermionic electron emission microscopy and high-field ultraviolet photoemission spectroscopy
Md Sariful Sheikh, Lin Lin, Ryan Jacobs +5
Perovskite SrVO has recently been proposed as a novel electron emission cathode material. Density functional theory (DFT) calculations suggest multiple low work function surfac…