2 citations · 2 across the 7 of their papers we have counts for
4 papers · 1 filter
Optimizing Data Extraction from Materials Science Literature: A Study of Tools Using Large Language Models
Wenkai Ning, Musen Li, Jeffrey R. Reimers +1
Large Language Models (LLMs) are increasingly utilized for large-scale extraction and organization of unstructured data owing to their exceptional Natural Language Processing (NLP)…
Re-refinement of the structure of the planar hexagonal phase of ZnO nanocrystals
Musen Li, Lingyao Zhang, Wei Ren +1
The planar hexagonal phase of ZnO, known as h-ZnO, g-ZnO, α-ZnO, the Bk structure, the 5-5 phase, the α-BN phase, etc., has P63/mmc symmetry and is implicated in ferroelectric swit…
Reproducibility of high-throughput density-functional-theory calculations
Chenxi Lu, Musen Li, Jeffrey R. Reimers
While standard computational protocols for density functional theory (DFT) have universal applicability, differences exist in code implementations. Specific applications require ma…
Reliable Density Functional Theory Predictions of Bandgaps for Materials
Chenxi Lu, Musen Li, Michael J. Ford +3
We consider methods for optimizing the bandgap calculation of 3D materials, considering 340 sample materials. Examined are the effects of the choice of the pseudopotential to descr…