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J

Janghoon Ock

carnegie mellon university

5H-index
22Paper Count
187Citation Count
Published Papers 9
Publication Date
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Modular large language model agents for multi-task computational materials science
errCommunications Materials
IF9.6
err2026-03-26
err0
errOAAI
errAkshat Chaudhari; Janghoon Ock; Amir Barati Farimani
errShare
errSave
Large Language Model Agent for Modular Task Execution in Drug Discovery
errJournal of Chemical Information and Modeling
IF5.3
err2026-02-01
err0
errOAAI
errOck, Janghoon; Meda, Radheesh Sharma; Badrinarayanan, Srivathsan; Aluru, Neha S.; Chandrasekhar, Achuth; Barati Farimani, Amir
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errSave
Adsorb-Agent: Autonomous Identification of Stable Adsorption Configurations via Large Language Model Agent
errDigital Discovery
IF5.6
err2025-12-20
err0
errOAAI
errJanghoon Ock; Radheesh Sharma Meda; Tirtha Vinchurkar; Yayati Jadhav; Amir Barati Farimani
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errSave
LLM-guided chemical process optimization with a multi-agent approach
errMachine Learning: Science and Technology
IF0
err2025-12-15
err0
errOAAI
errTong Zeng; Srivathsan Badrinarayanan; Janghoon Ock; Cheng-Kai Lai; Amir Barati Farimani
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errSave
Multimodal language and graph learning of adsorption configuration in catalysis
errNATURE MACHINE INTELLIGENCE
IF23.9
err2024-11-27
err1
PREAI
errOck, Janghoon; Badrinarayanan, Srivathsan; Magar, Rishikesh; Antony, Akshay; Farimani, Amir Barati
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errSave
GradNav: Accelerated Exploration of Potential Energy Surfaces with Gradient-Based Navigation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-05-10
err1
errOAAI
errOck, Janghoon; Mollaei, Parisa; Barati Farimani, Amir
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errSave
Machine Learning in Membrane Design: From Property Prediction to AI-Guided Optimization
errNANO LETTERS
IF9.1
err2024-03-04
err11
errOAAI
errCao, Zhonglin; Farimani, Omid Barati; Ock, Janghoon; Farimani, Amir Barati
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errSave
Catalyst Energy Prediction with CatBERTa: Unveiling Feature Exploration Strategies through Large Language Models
errACS CATALYSIS
IF13.1
err2023-11-30
err11
errOAAI
errOck, Janghoon; Guntuboina, Chakradhar; Farimani, Amir Barati
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errSave
Beyond independent error assumptions in large GNN atomistic models
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-06-01
err8
errOAAI
errOck, Janghoon; Tian, Tian; Kitchin, John; Ulissi, Zachary
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errSave

Research Directions

The data has not been retrieved yet.
Co-authors
Cooperation Journals
A
Amir Barati Farimani
H-index: 48 · Papers: 336
J
John R. Kitchin
H-index: 45 · Papers: 252
T
Tian Tian
H-index: 38 · Papers: 209
Z
Zachary W. Ulissi
H-index: 36 · Papers: 149
Z
Zhonglin Cao
H-index: 21 · Papers: 55
View more