activity
20162026
most citedOpportunities and Challenges for Machine Learning in Materials Science

487 citations · 2.6k across the 46 of their papers we have counts for

collaborators

46 papers

cs.CV2026

Improving Combined Detection and Classification of TEM Defects via Mask-Conditioned Latent Diffusion Augmentation

Ni Li, Nuohao Liu, Ryan Jacobs +5

Analyzing microstructural defects in transmission electron microscopy (TEM) images, particularly in irradiated metal alloys, is often limited by the availability of high-quality, l…

cond-mat.mtrl-sci2026

Kolmogorov-Arnold Networks Applied to Materials Property Prediction

Ryan Jacobs, Lane E. Schultz, Dane Morgan

Kolmogorov-Arnold Networks (KANs) were proposed as an alternative to traditional neural network architectures based on multilayer perceptrons (MLP-NNs). The potential advantages of…

cond-mat.mtrl-sci2025

Effects of Yttrium Doping on Oxygen Conductivity in Ba(Fe, Co, Zr, Y)O_{3-δ} Cathode Materials for Proton Ceramic Fuel Cells

Chiyoung Kim, Ryan Jacobs, Jack H. Duffy +3

Proton ceramic fuel cells (PCFCs) achieve high efficiency at reduced operating temperatures, but their performance is often limited by slow oxygen reduction reaction (ORR) kinetics…

cond-mat.mtrl-sci2025★ 203 cited

A practical guide to machine learning interatomic potentials -- Status and future

Ryan Jacobs, Dane Morgan, Siamak Attarian +27

The rapid development and large body of literature on machine learning interatomic potentials (MLIPs) can make it difficult to know how to proceed for researchers who are not exper…

cond-mat.mtrl-sci2024★ 8 cited

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.…

cond-mat.mtrl-sci2024★ 3 cited

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…