2 papers
cond-mat.mtrl-sci2026
Evaluating a 4B open-weights local LLM for agentic DFT workflows: a literature reproducibility audit
Shambhu Bhandari Sharma
Agentic workflows in materials science relying on hosted commercial models face severe reproducibility, economic, and data-privacy constraints. To explore fully local agentic scien…
cond-mat.mtrl-sci2026
Ab initio High-Pressure Phase Diagrams of Al-Mg Alloys in the Low Solute Concentration Limit
Shambhu Bhandari Sharma, Shailesh Mehta, Dario Alfè
Binary alloy phase diagrams at high pressure are essential for understanding solidification and chemical partitioning in both engineered materials and planetary interiors, yet thei…