3 citations · 5 across the 5 of their papers we have counts for
5 papers
34 Examples of LLM Applications in Materials Science and Chemistry: Towards Automation, Assistants, Agents, and Accelerated Scientific Discovery
Yoel Zimmermann, Adib Bazgir, Alexander Al-Feghali +32
Large Language Models (LLMs) are reshaping many aspects of materials science and chemistry research, enabling advances in molecular property prediction, materials design, scientifi…
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…
Twins in rotational spectroscopy: Does a rotational spectrum uniquely identify a molecule?
Marcus Schwarting, Nathan A. Seifert, Michael J. Davis +3
Rotational spectroscopy is the most accurate method for determining structures of molecules in the gas phase. It is often assumed that a rotational spectrum is a unique "fingerprin…
Linking Scientific Instruments and HPC: Patterns, Technologies, Experiences
Rafael Vescovi, Ryan Chard, Nickolaus Saint +10
Powerful detectors at modern experimental facilities routinely collect data at multiple GB/s. Online analysis methods are needed to enable the collection of only interesting subset…
RADICAL-Pilot and Parsl: Executing Heterogeneous Workflows on HPC Platforms
Aymen Alsaadi, Logan Ward, Andre Merzky +4
Workflows applications are becoming increasingly important to support scientific discovery. That is leading to a proliferation of workflow management systems and, thus, to a fragme…