Srivathsan Badrinarayanan

About Me

I am an incoming Ph.D. student in Mechanical Engineering at Carnegie Mellon University, where I will continue my work in the Mechanical and AI Lab with Dr. Amir Barati Farimani. My research focuses on physics-informed AI that unifies molecular language, graph, and 3D structure for therapeutic and materials discovery in data-limited settings.

I recently completed an M.S. in Artificial Intelligence Engineering (Chemical Engineering) at CMU. Before that, I earned a B.Tech in Chemical Engineering from IIT Madras, with research experience spanning MAIL Lab, MITACS at the University of Alberta, and IIT Madras. You can find more about my publications and projects and a copy of my CV.

News

• [August 2026] Starting as a Ph.D. student in Mechanical Engineering at CMU MAIL Lab.
• [July 2026] Graph-Based Kirchhoff Modeling of Non-Ohmic Electron Transport in Self-Assembled Nanonecklace Networks preprint on arXiv.
• [February 2026] Large Language Model Agent for Modular Task Execution in Drug Discovery published in ACS JCIM.
• [December 2025] LLM-guided Chemical Process Optimization with a Multi-Agent Approach published in ML: Science & Technology.
• [October 2025] Meta-Learning for Cross-Task Generalization in Protein Mutation Property Prediction preprint on arXiv.
• [October 2025] Appointed peer reviewer for ACS Journal of Chemical Information and Modeling.
• [August 2025] MOFGPT: Generative Design of Metal-Organic Frameworks using Language Models published in ACS JCIM.
• [April 2025] Founded DreamPods science communication initiative.
• [December 2024] Graduated with M.S. in Artificial Intelligence Engineering from Carnegie Mellon University (GPA 4.0). Multi-Peptide published in ACS JCIM.
• [November 2024] Multimodal Language and Graph Learning of Adsorption Configuration in Catalysis published in Nature Machine Intelligence.
• [November 2024] Best Poster Award for Character-Consistent Diffusion, CMU Generative AI course.
• [July 2023] Graduated from IIT Madras with a B.Tech in Chemical Engineering (minor: Bioprocess Engineering).
• [May to August 2022] MITACS Globalink summer research intern at the University of Alberta. Presented at the Three-Minute Thesis symposium.
• [July 2021] Awarded the Young Research Fellowship at IIT Madras.

Education

• Carnegie Mellon University Ph.D. in Mechanical Engineering  ·  Aug 2026

  MAIL Lab, Dr. Amir Barati Farimani

• Carnegie Mellon University M.S. Artificial Intelligence Engineering (Chemical Engineering)  ·  Graduated Dec 2024

  GPA 4.0. Generative AI, LLMs, deep learning, trustworthy AI.

• Indian Institute of Technology Madras B.Tech Chemical Engineering  ·  Graduated Jul 2023

  Minor in Bioprocess Engineering.

Research Interests & Skills

Multimodal learning, generative AI, and agentic pipelines for molecular science. PyTorch, transformers, GNNs, diffusion models, LLMs, RAG, RL (PPO), AlphaFold, ESM, ProteinMPNN, RFdiffusion, RDKit, LangChain, HuggingFace, Docker, AWS, CUDA.