2 papers
cond-mat.mtrl-sci2025
MaterialsGalaxy: A Platform Fusing Experimental and Theoretical Data in Condensed Matter Physics
Tiannian Zhu, Zhong Fang, Quansheng Wu +1
Modern materials science generates vast and diverse datasets from both experiments and computations, yet these multi-source, heterogeneous data often remain disconnected in isolate…
cond-mat.mtrl-sci2025
VASPilot: MCP-Facilitated Multi-Agent Intelligence for Autonomous VASP Simulations
Jiaxuan Liu, Tiannian Zhu, Caiyuan Ye +3
Density-functional-theory (DFT) simulations with the Vienna Ab initio Simulation Package (VASP) are indispensable in computational materials science but often require extensive man…