1 citations · 1 across the 1 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2026★ 1 cited
TritonDFT: Automating DFT with a Multi-Agent Framework
Zhengding Hu, Kuntal Talit, Zhen Wang +8
Density Functional Theory (DFT) is a cornerstone of materials science, yet executing DFT in practice requires coordinating a complex, multi-step workflow. Existing tools and LLM-ba…
cond-mat.mtrl-sci2024
Resolving Discrepancies in Calculations of Mechanical Properties of CH\textsubscript{3}NH\textsubscript{3}PbI\textsubscript{3} Perovskites
Kuntal Talit, David A. Strubbe
The mechanical properties of hybrid perovskite materials are important for device flexibility, resistance to fracture, epitaxial growth, surface energetics of quantum dots, and ind…