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cond-mat.mtrl-sci2025
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
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.…