JO
Publications
- Beyond independent error assumptions in large GNN atomistic models
- Acceleration of instability during the capillary thinning process due to the addition of particles to a poly(ethylene oxide) solution
- Method of producing ethylene-carboxylic acid compolymer
- Catalyst Energy Prediction with CatBERTa: Unveiling Feature Exploration Strategies through Large Language Models
- Machine Learning in Membrane Design: From Property Prediction to AI-Guided Optimization
- GradNav: Accelerated Exploration of Potential Energy Surfaces with Gradient-Based Navigation
- Multimodal language and graph learning of adsorption configuration in catalysis
- Modular Large Language Model Agents for Multi-Task Computational Materials Science
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Co-workers & collaborators
- RM
Rishikesh Magar
- AA
Akshay Antony
- SB
Srivathsan Badrinarayanan
- AB
Amir Barati Farimani