2 citations · 2 across the 5 of their papers we have counts for
4 papers · 1 filter
MASON: Materials Atomistic Structure builder Operated in Natural language
Xinyue Zhang, Jixiang Li, Bin Shao +3
Building reliable atomistic models is a critical and often challenging step in first-principles calculations. Although large language model agents can assist with structure generat…
Universal Dzyaloshinski-Moriya interaction dictates pairing in unconventional superconductor families
Baishun Yang, Yida Chu, Xuelei Sui +3
The collinear-antiferromagnetic spin-fluctuation paradigm has long guided unconventional superconductivity research, yet fails to reconcile the noncollinear spin phenomena observed…
Fine-Tuning Small Language Models for Reliable VASP INCAR Generation
Xinyue Zhang, Jixiang Li, Bin Shao +3
Language models can prepare VASP INCAR files from natural-language requests, but so far only large proprietary cloud models come close to handling the tightly coupled, physics-sens…
INCARBench: A Benchmark for Scientific Configuration in VASP INCAR by Large Language Models
Bin Shao, Jixiang Li, Xinyue Zhang +3
Large language models (LLMs) are increasingly being integrated into first-principles computational workflows, yet their ability to configure scientific calculations remains poorly…