3 citations · 10 across the 10 of their papers we have counts for
4 papers · 1 filter
Agentic Additive Manufacturing Alloy Evaluation
Peter Pak, Achuth Chandrasekhar, Amir Barati Farimani
Agentic systems enable the intelligent use of research tooling, augmenting a researcher's ability to investigate and propose novel solutions to existing problems. Within Additive M…
Automating MD simulations for Proteins using Large language Models: NAMD-Agent
Achuth Chandrasekhar, Omid Barati Farimani, Amir Barati Farimani
Molecular dynamics (MD) simulations are essential for understanding protein structure, dynamics, and function, but preparing, running, and analyzing simulations remains time-consum…
Large Language Model Agent for Modular Task Execution in Drug Discovery
Janghoon Ock, Radheesh Sharma Meda, Srivathsan Badrinarayanan +3
We present a modular framework powered by large language models (LLMs) that automates and streamlines key tasks across the early-stage computational drug discovery pipeline. By com…
NANOGPT: A Query-Driven Large Language Model Retrieval-Augmented Generation System for Nanotechnology Research
Achuth Chandrasekhar, Omid Barati Farimani, Olabode T. Ajenifujah +2
This paper presents the development and application of a Large Language Model Retrieval-Augmented Generation (LLM-RAG) system tailored for nanotechnology research. The system lever…