Aakash Ashok Naik
- A foundation model for atomistic materials chemistry
2023/12/29 by Ilyes Batatia, Batatia, Ilyes, Philipp Benner +182 · 5 voices · 138 citations
Materials Science · Decision Sciences · #physics.chem-ph #cond-mat.mtrl-sci
- Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
2024/11/20 by Yoel Zimmermann, Adib Bazgir, Zimmermann, Yoel +298 · 3 voices · 6 citations
Engineering · #Biomedical and Engineering Education
- 34 Examples of LLM Applications in Materials Science and Chemistry: Towards Automation, Assistants, Agents, and Accelerated Scientific Discovery
2025/05/05 by Yoel Zimmermann, Zimmermann, Yoel, Adib Bazgir +74 · 2 voices · 1 citation
Materials Science · Medicine · Engineering · #Machine Learning in Materials Science #Artificial Intelligence in Healthcare and Education #Biomedical and Engineering Education
- An automated framework for exploring and learning potential-energy surfaces
2024/12/21 by Yuanbin Liu, Joe D. Morrow, Liu, Yuanbin +16 · 1 voice · 8 citations
Materials Science · #Machine Learning in Materials Science
- Atomate2: modular workflows for materials science
2025/01/01 by Alex M. Ganose, Hrushikesh Sahasrabuddhe, Mark Asta +53 · 2 voices · 8 citations
Chemical Engineering · Decision Sciences · Materials Science · #Catalysis and Oxidation Reactions #Machine Learning in Materials Science #Scientific Computing and Data Management
- A Quantum-Chemical Bonding Database for Solid-State Materials
2023/09/11 by Aakash Ashok Naik, Christina Ertural, Nidal Dhamrait +2 · 1 voice · 2 citations
Materials Science · #Machine Learning in Materials Science #X-ray Diffraction in Crystallography