2 citations · 2 across the 5 of their papers we have counts for
6 papers
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…
Giant non-reciprocal band structure effect in a multiferroic material
Srdjan Stavrić, Giuseppe Cuono, Baishun Yang +5
Multiferroic materials, characterized by the coexistence of ferroelectricity and ferromagnetism, may unveil band structures suggestive of complex phenomena and new functionalities.…
Emergence of Topological Bimerons in Monolayer CrSBr
Baishun Yang, Xiufeng Han, Silvia Picozzi
The rich and fascinating physics of topological spin textures in van der Waals two-dimensional magnets has motivated recent growing interests, though a comprehensive understanding…