A fine-tuned large language model based molecular dynamics agent for code generation to obtain material thermodynamic parameters

Z Zhuofan Shi C Chunxiao Xin T Tong Huo Y Yuntao Jiang B Bowen Wu X Xingyue Chen W Wei Qin (International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Institute of Theoretical Chemistry and College of Chemistry) X Xinjian Ma G Gang Huang (Chinese Academy of Sciences , , ,) Z Zhenyu Wang (Institute of Environmental Processes and Pollution Control, School of Environment and Ecology) X Xiang Jing