5 citations · 10 across the 11 of their papers we have counts for
11 papers
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Aritra Roy, Kevin Shen, Andrew MacBride +350
Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broa…
Autonomous Multi-Agent AI for High-Throughput Polymer Informatics: From Property Prediction to Generative Design Across Synthetic and Bio-Polymers
Mahule Roy, Adib Bazgir, Arthur da Silva Sousa Santos +1
We present an integrated multiagent AI ecosystem for polymer discovery that unifies high-throughput materials workflows, artificial intelligence, and computational modeling within…
Quantum Error Mitigation with Attention Graph Transformers for Burgers Equation Solvers on NISQ Hardware
Seyed Mohamad Ali Tousi, Adib Bazgir, Yuwen Zhang +1
We present a hybrid quantum-classical framework augmented with learned error mitigation for solving the viscous Burgers equation on noisy intermediate-scale quantum (NISQ) hardware…
AgenticAD: A Specialized Multiagent System Framework for Holistic Alzheimer Disease Management
Adib Bazgir, Amir Habibdoust, Xing Song +1
Alzheimer's disease (AD) presents a complex, multifaceted challenge to patients, caregivers, and the healthcare system, necessitating integrated and dynamic support solutions. Whil…
Causal MAS: A Survey of Large Language Model Architectures for Discovery and Effect Estimation
Adib Bazgir, Amir Habibdoust, Yuwen Zhang +1
Large Language Models (LLMs) have demonstrated remarkable capabilities in various reasoning and generation tasks. However, their proficiency in complex causal reasoning, discovery,…
Mic-hackathon 2024: Hackathon on Machine Learning for Electron and Scanning Probe Microscopy
Utkarsh Pratiush, Austin Houston, Kamyar Barakati +70
Microscopy is a primary source of information on materials structure and functionality at nanometer and atomic scales. The data generated is often well-structured, enriched with me…
Beyond Correlation: Towards Causal Large Language Model Agents in Biomedicine
Adib Bazgir, Amir Habibdoust Lafmajani, Yuwen Zhang
Large Language Models (LLMs) show promise in biomedicine but lack true causal understanding, relying instead on correlations. This paper envisions causal LLM agents that integrate…
Multicrossmodal Automated Agent for Integrating Diverse Materials Science Data
Adib Bazgir, Rama chandra Praneeth Madugula, Yuwen Zhang
We introduce a multicrossmodal LLM-agent framework motivated by the growing volume and diversity of materials-science data ranging from high-resolution microscopy and dynamic simul…
34 Examples of LLM Applications in Materials Science and Chemistry: Towards Automation, Assistants, Agents, and Accelerated Scientific Discovery
Yoel Zimmermann, Adib Bazgir, Alexander Al-Feghali +32
Large Language Models (LLMs) are reshaping many aspects of materials science and chemistry research, enabling advances in molecular property prediction, materials design, scientifi…
Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Yoel Zimmermann, Adib Bazgir, Zartashia Afzal +141
Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hyb…
QESM: A Leap Towards Quantum-Enhanced ML Emulation Framework for Earth and Climate Modeling
Adib Bazgir, Yuwen Zhang
Current climate models often struggle with accuracy because they lack sufficient resolution, a limitation caused by computational constraints. This reduces the precision of weather…