2 papers
cond-mat.mtrl-sci2026
Chemically Resolved Topological Coordinates Link Structural Dynamics and Configurational Thermodynamics
Ayush Kumar Pandey, Abhishek Tewari
Atomic coordinates specify a structure, but they do not reveal how chemical connectivity across several length scales relates to atomic motion and configurational energy ordering.…
cs.LG2025
Automated Extraction of Material Properties using LLM-based AI Agents
Subham Ghosh, Abhishek Tewari
The rapid discovery of materials is constrained by the lack of large, machine-readable datasets that couple performance metrics with structural context. Existing databases are eith…