Publications
Citations are generated automatically using the Manubot cite utility.
2025
Large Language Model Agent for Modular Task Execution in Drug Discovery
Cold Spring Harbor Laboratory
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05 Jul 2025
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doi:10.1101/2025.07.02.662875
Modular Large Language Model Agents for Multi-Task Computational Materials Science
American Chemical Society (ACS)
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02 May 2025
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doi:10.26434/chemrxiv-2025-zkn81-v2
Modular Large Language Model Agents for Multi-Task Computational Materials Science
American Chemical Society (ACS)
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30 Apr 2025
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doi:10.26434/chemrxiv-2025-zkn81
Large Language Model Agent for Modular Task Execution in Drug Discovery
arXiv
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01 Jan 2025
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doi:10.48550/arXiv.2507.02925
2024
Multimodal language and graph learning of adsorption configuration in catalysis
Nature Machine Intelligence
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27 Nov 2024
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doi:10.1038/s42256-024-00930-7
GradNav: Accelerated Exploration of Potential Energy Surfaces with Gradient-Based Navigation
Journal of Chemical Theory and Computation
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10 May 2024
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doi:10.1021/acs.jctc.4c00316
Machine Learning in Membrane Design: From Property Prediction to AI-Guided Optimization
Nano Letters
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04 Mar 2024
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doi:10.1021/acs.nanolett.3c05137
language and graph multimodal data for heterogeneous catalyst
figshare
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01 Jan 2024
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doi:10.6084/m9.figshare.27208356
2023
Catalyst Energy Prediction with CatBERTa: Unveiling Feature Exploration Strategies through Large Language Models
ACS Catalysis
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30 Nov 2023
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doi:10.1021/acscatal.3c04956
Method of producing ethylene-carboxylic acid compolymer
[no publisher info]
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01 Sep 2023
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[no id info]
Beyond independent error assumptions in large GNN atomistic models
The Journal of Chemical Physics
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01 Jun 2023
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doi:10.1063/5.0151159
2018
Acceleration of instability during the capillary thinning process due to the addition of particles to a poly(ethylene oxide) solution
Journal of Non-Newtonian Fluid Mechanics
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01 Aug 2018
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doi:10.1016/j.jnnfm.2018.04.009