Janghoon Ock

16 papers Journal 16
YearRankTypeTitle / Venue / Authors
2026 J jnl
Catalyst-Agent: Autonomous heterogeneous catalyst screening and optimization with an LLM Agent.
CoRR
Achuth Chandrasekhar, Janghoon Ock, Amir Barati Farimani
2026 J jnl
Large Language Model Agent for Modular Task Execution in Drug Discovery.
J. Chem. Inf. Model.
Janghoon Ock, Radheesh Sharma Meda, Srivathsan Badrinarayanan, Neha S. Aluru, Achuth Chandrasekhar, Amir Barati Farimani
2025 J jnl
Beyond Force Metrics: Pre-Training MLFFs for Stable MD Simulations.
CoRR
Shagun Maheshwari, Janghoon Ock, Adeesh Kolluru, Amir Barati Farimani, John R. Kitchin
2025 J jnl
LLM-guided Chemical Process Optimization with a Multi-Agent Approach.
CoRR
Tong Zeng, Srivathsan Badrinarayanan, Janghoon Ock, Cheng-Kai Lai, Amir Barati Farimani
2025 J jnl
LLM-guided chemical process optimization with a multi-agent approach.
Mach. Learn. Sci. Technol.
Tong Zeng, Srivathsan Badrinarayanan, Janghoon Ock, Cheng-Kai Lai, Amir Barati Farimani
2025 J jnl
Large Language Model Agent for Modular Task Execution in Drug Discovery.
CoRR
Janghoon Ock, Radheesh Sharma Meda, Srivathsan Badrinarayanan, Neha S. Aluru, Achuth Chandrasekhar, Amir Barati Farimani
2025 J jnl
Meta-Learning for Cross-Task Generalization in Protein Mutation Property Prediction.
CoRR
Srivathsan Badrinarayanan, Yue Su, Janghoon Ock, Alan Pham, Sanya Ahuja, Amir Barati Farimani
2025 J jnl
NANOGPT: A Query-Driven Large Language Model Retrieval-Augmented Generation System for Nanotechnology Research.
CoRR
Achuth Chandrasekhar, Omid Barati Farimani, Olabode Ajenifujah, Janghoon Ock, Amir Barati Farimani
2025 J jnl
Text to Band Gap: Pre-trained Language Models as Encoders for Semiconductor Band Gap Prediction.
CoRR
Ying-Ting Yeh, Janghoon Ock, Amir Barati Farimani
2024 J jnl
Adsorb-Agent: Autonomous Identification of Stable Adsorption Configurations via Large Language Model Agent.
CoRR
Janghoon Ock, Tirtha Vinchurkar, Yayati Jadhav, Amir Barati Farimani
2024 J jnl
Explainable Data-driven Modeling of Adsorption Energy in Heterogeneous Catalysis.
CoRR
Tirtha Vinchurkar, Janghoon Ock, Amir Barati Farimani
2024 J jnl
GradNav: Accelerated Exploration of Potential Energy Surfaces with Gradient-Based Navigation.
CoRR
Janghoon Ock, Parisa Mollaei, Amir Barati Farimani
2024 J jnl
Multimodal Language and Graph Learning of Adsorption Configuration in Catalysis.
CoRR
Janghoon Ock, Rishikesh Magar, Akshay Antony, Amir Barati Farimani
2024 J jnl
Multimodal language and graph learning of adsorption configuration in catalysis.
Nat. Mac. Intell.
Janghoon Ock, Srivathsan Badrinarayanan, Rishikesh Magar, Akshay Antony, Amir Barati Farimani
2024 J jnl
UniMat: Unifying Materials Embeddings through Multi-modal Learning.
CoRR
Janghoon Ock, Joseph H. Montoya, Daniel Schweigert, Linda Hung, Santosh K. Suram, Weike Ye
2023 J jnl
Catalyst Property Prediction with CatBERTa: Unveiling Feature Exploration Strategies through Large Language Models.
CoRR
Janghoon Ock, Chakradhar Guntuboina, Amir Barati Farimani