4 papers
LABO: LLM-Accelerated Bayesian Optimization through Broad Exploration and Selective Experimentation
Zhuo Chen, Xinzhe Yuan, Jianshu Zhang +8
The high cost and data scarcity in scientific exploration have motivated the use of large language models (LLMs) as knowledge-driven components in Bayesian optimization (BO). Howev…
Hierarchical Crystal Structure Prediction of Zeolitic Imidazolate Frameworks Using DFT and Machine-Learned Interatomic Potentials
Yizhi Xu, Jordan Dorrell, Katarina Lisac +4
Crystal structure prediction (CSP) is emerging as a powerful method for the computational design of metal-organic frameworks (MOFs). In this article we employ CSP to perform high-t…
Revealing 3D Strain and Carbide Architectures in Additively Manufactured Ni Superalloys
James A. D. Ball, David M. Collins, Yuanbo T. Tang +4
Fast directional solidification during Laser Additive Manufacturing (LAM) produces a complex microstructure in nickel-based superalloys, comprising columnar grains with cellular su…
X-Shooting ULLYSES: Massive stars at low metallicity. XIII. Putting the bi-stability jump to the test in the LMC
T. Alkousa, P. A. Crowther, J. M. Bestenlehner +10
We aim to investigate the theoretical bi-stability jump, which predicts an increase in mass-loss rates below 21 kK. We further aim to constrain the photospheric and wind parameters…