1.8k citations · 2.6k across the 21 of their papers we have counts for
23 papers
14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon
Kevin Maik Jablonka, Qianxiang Ai, Alexander Al-Feghali +50
Large-language models (LLMs) such as GPT-4 caught the interest of many scientists. Recent studies suggested that these models could be useful in chemistry and materials science. To…
Machine Learning Prediction of Critical Cooling Rate for Metallic Glasses From Expanded Datasets and Elemental Features
Benjamin T. Afflerbach, Carter Francis, Lane E. Schultz +9
We use a random forest model to predict the critical cooling rate (RC) for glass formation of various alloys from features of their constituent elements. The random forest model wa…
Accelerating Communications in Federated Applications with Transparent Object Proxies
J. Gregory Pauloski, Valerie Hayot-Sasson, Logan Ward +5
Advances in networks, accelerators, and cloud services encourage programmers to reconsider where to compute -- such as when fast networks make it cost-effective to compute on remot…
Workflows Community Summit 2022: A Roadmap Revolution
Rafael Ferreira da Silva, Rosa M. Badia, Venkat Bala +102
Scientific workflows have become integral tools in broad scientific computing use cases. Science discovery is increasingly dependent on workflows to orchestrate large and complex s…
Cloud Services Enable Efficient AI-Guided Simulation Workflows across Heterogeneous Resources
Logan Ward, J. Gregory Pauloski, Valerie Hayot-Sasson +7
Applications that fuse machine learning and simulation can benefit from the use of multiple computing resources, with, for example, simulation codes running on highly parallel supe…
Quantifying the performance of machine learning models in materials discovery
Christopher K. H. Borg, Eric S. Muckley, Clara Nyby +4
The predictive capabilities of machine learning (ML) models used in materials discovery are typically measured using simple statistics such as the root-mean-square error (RMSE) or…