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Journal of Chemical Theory and Computation
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May 10, 2024
GradNav: Accelerated Exploration of Potential Energy Surfaces with Gradient-Based Navigation
Janghoon Ock, Parisa Mollaei, Amir Barati Farimani
The Journal of Chemical Physics
|
June 1, 2023
Beyond independent error assumptions in large GNN atomistic models
Janghoon Ock, Tian Tian, John Kitchin, et al.
Nano Letters
|
March 4, 2024
Machine Learning in Membrane Design: From Property Prediction to AI-Guided Optimization
Zhonglin Cao, Omid Barati Farimani, Janghoon Ock, et al.
Journal of Chemical Information and Modeling
|
February 9, 2026
Large Language Model Agent for Modular Task Execution in Drug Discovery
Janghoon Ock, Radheesh Sharma Meda, Srivathsan Badrinarayanan, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
May 10, 2024
GradNav: Accelerated Exploration of Potential Energy Surfaces with Gradient-Based Navigation
Janghoon Ock, Parisa Mollaei, Amir Barati Farimani
The Journal of Chemical Physics
|
June 1, 2023
Beyond independent error assumptions in large GNN atomistic models
Janghoon Ock, Tian Tian, John Kitchin, et al.
Nano Letters
|
March 4, 2024
Machine Learning in Membrane Design: From Property Prediction to AI-Guided Optimization
Zhonglin Cao, Omid Barati Farimani, Janghoon Ock, et al.
Journal of Chemical Information and Modeling
|
February 9, 2026
Large Language Model Agent for Modular Task Execution in Drug Discovery
Janghoon Ock, Radheesh Sharma Meda, Srivathsan Badrinarayanan, et al.
Page
of 1