214 citations · 1.4k across the 34 of their papers we have counts for
6 papers · 1 filter
Accelerating Electronic Stopping Power Predictions by 10 Million Times with a Combination of Time-Dependent Density Functional Theory and Machine Learning
Logan Ward, Ben Blaiszik, Cheng-Wei Lee +3
Knowing the rate at which particle radiation releases energy in a material, the stopping power, is key to designing nuclear reactors, medical treatments, semiconductor and quantum…
Towards a Modular Architecture for Science Factories
Rafael Vescovi, Tobias Ginsburg, Kyle Hippe +14
Advances in robotic automation, high-performance computing (HPC), and artificial intelligence (AI) encourage us to conceive of science factories: large, general-purpose computation…
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…
JARVIS-Leaderboard: A Large Scale Benchmark of Materials Design Methods
Kamal Choudhary, Daniel Wines, Kangming Li +35
Lack of rigorous reproducibility and validation are major hurdles for scientific development across many fields. Materials science in particular encompasses a variety of experiment…
What is missing in autonomous discovery: Open challenges for the community
Phillip M. Maffettone, Pascal Friederich, Sterling G. Baird +16
Self-driving labs (SDLs) leverage combinations of artificial intelligence, automation, and advanced computing to accelerate scientific discovery. The promise of this field has give…
Deep Learning for Automated Experimentation in Scanning Transmission Electron Microscopy
Sergei V. Kalinin, Debangshu Mukherjee, Kevin M. Roccapriore +9
Machine learning (ML) has become critical for post-acquisition data analysis in (scanning) transmission electron microscopy, (S)TEM, imaging and spectroscopy. An emerging trend is…