5 citations · 5 across the 3 of their papers we have counts for
3 papers
An automated framework for exploring and learning potential-energy surfaces
Yuanbin Liu, Joe D. Morrow, Christina Ertural +6
Machine learning has become ubiquitous in materials modelling and now routinely enables large-scale atomistic simulations with quantum-mechanical accuracy. However, developing mach…
Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Yoel Zimmermann, Adib Bazgir, Zartashia Afzal +141
Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hyb…
"Ultima Ratio": Simulating wide-range X-ray scattering and diffraction
Brian R. Pauw, Sofya Laskina, Aakash Naik +4
We demonstrate a strategy for simulating wide-range X-ray scattering patterns, which spans the small- and wide scattering angles as well as the scattering angles typically used for…