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10 Results
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Workshop
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Perovs-Dopants: Machine Learning Potentials for Doped Bulk Structures Xiaoxiao Wang · Suehyun Park · Santiago Miret |
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Workshop
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Efficient Autoencoder Pipeline for Discovering High Entropy Alloys with Molecular Dynamics Data Amirhossein Naghdi Dorabati · Grzegorz Kaszuba · Stefanos Papanikolaou · Andrzej Jaszkiewicz · Piotr Sankowski |
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Workshop
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Leveraging Large Language Models for Explaining Material Synthesis Mechanisms: The Foundation of Materials Discovery Yingming Pu · Liping Huang · Tao Lin · Hongyu Chen |
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Workshop
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Adaptive Representation of MOFs in Bayesian Optimization Mahyar Rajabi Kochi · Negareh Mahboubi · Aseem Gill · Mohamad Moosavi |
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Workshop
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MatExpert: Decomposing Materials Discovery By Mimicking Human Experts Qianggang Ding · Santiago Miret · Bang Liu |
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Workshop
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Applying Multi-Fidelity Bayesian Optimization in Chemistry: Open Challenges and Major Considerations Edmund Judge · Mohammed Azzouzi · Austin Mroz · Antonio del Rio Chanona · Kim Jelfs |
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Workshop
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Dimension Deficit: Is 3D a Step Too Far for Optimizing Molecules? Andres Guzman-Cordero · Luca Thiede · Gary Tom · Alan Aspuru-Guzik · Felix Strieth-Kalthoff · Agustinus Kristiadi |
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Workshop
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A Geometric Foundation Model for Crystalline Material Discovery Shengchao Liu · Divin Yan · weitao Du · Zhuoxinran Li · Zhiling Zheng · Omar Yaghi · Christian Borgs · Hongyu Guo · Animashree Anandkumar · Jennifer Chayes |
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Poster
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Thu 11:00 |
Nonlocal Attention Operator: Materializing Hidden Knowledge Towards Interpretable Physics Discovery Yue Yu · Ning Liu · Fei Lu · Tian Gao · Siavash Jafarzadeh · Stewart A Silling |
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Workshop
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LLaMat: Large Language Models for Materials Science Information Extraction Vaibhav Mishra · Somaditya Singh · Mohd Zaki · Dhruv Ahlawat · Hargun Grover · Biswajit Mishra · Santiago Miret · Mausam · N M Anoop Krishnan |