Catalyst Property Prediction with CatBERTa: Unveiling Feature Exploration Strategies through Large Language Models. - Janghoon Ock; Chakradhar Guntuboina; Amir Barati Farimani (CoRR, 2023)

Multimodal Language and Graph Learning of Adsorption Configuration in Catalysis. - Janghoon Ock; Rishikesh Magar; Akshay Antony; Amir Barati Farimani (CoRR, 2024)

GradNav: Accelerated Exploration of Potential Energy Surfaces with Gradient-Based Navigation. - Janghoon Ock; Parisa Mollaei; Amir Barati Farimani (CoRR, 2024)

Explainable Data-driven Modeling of Adsorption Energy in Heterogeneous Catalysis. - Tirtha Vinchurkar; Janghoon Ock; Amir Barati Farimani (CoRR, 2024)

Adsorb-Agent: Autonomous Identification of Stable Adsorption Configurations via Large Language Model Agent. - Janghoon Ock; Tirtha Vinchurkar; Yayati Jadhav; Amir Barati Farimani (CoRR, 2024)

UniMat: Unifying Materials Embeddings through Multi-modal Learning. - Janghoon Ock; Joseph H. Montoya; Daniel Schweigert; Linda Hung; Santosh K. Suram; Weike Ye (CoRR, 2024)

Multimodal language and graph learning of adsorption configuration in catalysis. - Janghoon Ock; Srivathsan Badrinarayanan; Rishikesh Magar; Akshay Antony; Amir Barati Farimani (Nat. Mac. Intell., 2024)

Text to Band Gap: Pre-trained Language Models as Encoders for Semiconductor Band Gap Prediction. - Ying-Ting Yeh; Janghoon Ock; Amir Barati Farimani (CoRR, 2025)

NANOGPT: A Query-Driven Large Language Model Retrieval-Augmented Generation System for Nanotechnology Research. - Achuth Chandrasekhar; Omid Barati Farimani; Olabode Ajenifujah; Janghoon Ock; Amir Barati Farimani (CoRR, 2025)

Beyond Force Metrics: Pre-Training MLFFs for Stable MD Simulations. - Shagun Maheshwari; Janghoon Ock; Adeesh Kolluru; Amir Barati Farimani; John R. Kitchin (CoRR, 2025)

LLM-guided Chemical Process Optimization with a Multi-Agent Approach. - Tong Zeng; Srivathsan Badrinarayanan; Janghoon Ock; Cheng-Kai Lai; Amir Barati Farimani (CoRR, 2025)

Large Language Model Agent for Modular Task Execution in Drug Discovery. - Janghoon Ock; Radheesh Sharma Meda; Srivathsan Badrinarayanan; Neha S. Aluru; Achuth Chandrasekhar; Amir Barati Farimani (CoRR, 2025)