4 papers
MatSKRAFT: A framework for large-scale materials knowledge extraction from scientific tables
Kausik Hira, Mohd Zaki, Mausam +1
Scientific progress increasingly depends on synthesizing knowledge across vast literature, yet most experimental data remains trapped in semi-structured formats that resist systema…
Agentic AI Scientists Are Not Built For Autonomous Scientific Discovery
Harshit Bisht, Vinay Kumar, Kevin Maik Jablonka +2
A growing body of work pursues AI scientists capable of end-to-end autonomous scientific discovery. This position paper argues that although they already function as co-scientists,…
MDGYM: Benchmarking AI Agents on Molecular Simulations
Vinay Kumar, Satyendra Rajput, Mausam +1
The promise of AI-driven scientific discovery hinges on whether AI agents can autonomously design and execute the computational workflows that underpin modern science. Molecular dy…
Foundational Large Language Models for Materials Research
Vaibhav Mishra, Somaditya Singh, Dhruv Ahlawat +7
Materials discovery and development are critical for addressing global challenges. Yet, the exponential growth in materials science literature comprising vast amounts of textual da…