activity
20222026
most citedReflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry

5 citations · 15 across the 10 of their papers we have counts for

collaborators

10 papers

cs.LG2026

Learning Metamaterial Eigenmodes with Wavelet-Encoded Fourier Neural Operators

Han Zhang, Alexander Ogren, Cynthia Rudin +2

Machine learning surrogates based on neural operators have shown broad applicability in solving forward PDE problems. However, eigenvalue problems, in which an eigenparameter and o…

cs.DL2026

Liberata -- Graph Scientometrics for a Share Based System of Academic Publishing

Han Zhang, Anshuman Sabath, Timothy W. Dunn +1

Contemporary scientometric indicators remain anchored in paradigms and axioms from when academic research was conducted in small scholarly communities. With the global proliferatio…

cs.LG2025★ 2 cited

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…

stat.AP2025★ 1 cited

A Framework for Supervised and Unsupervised Segmentation and Classification of Materials Microstructure Images

Kungang Zhang, Wei Chen, Wing K. Liu +2

Microstructure of materials is often characterized through image analysis to understand processing-structure-properties linkages. We propose a largely automated framework that inte…

cond-mat.soft2024★ 1 cited

Understanding process-structure-property relation for elastoplastic behavior of polymer nanocomposites with agglomeration anomalies and gradient interphase percolation

Prajakta Prabhune, Anlan Chen, Yigitcan Comlek +2

For polymer nanocomposites, disordered microstructural nature makes processing control and tailoring properties to desired values a challenge. Understanding process-structure-prope…

cs.LG2024★ 5 cited

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…

physics.app-ph2024★ 1 cited

Phononic materials with effectively scale-separated hierarchical features using interpretable machine learning

Mary V. Bastawrous, Zhi Chen, Alexander C. Ogren +3

Manipulating the dispersive characteristics of vibrational waves is beneficial for many applications, e.g., high-precision instruments. architected hierarchical phononic materials…

cs.CL2024★ 3 cited

Extracting Polymer Nanocomposite Samples from Full-Length Documents

Ghazal Khalighinejad, Defne Circi, L. C. Brinson +1

This paper investigates the use of large language models (LLMs) for extracting sample lists of polymer nanocomposites (PNCs) from full-length materials science research papers. The…

cs.SD2023★ 1 cited

Uncertainty Quantification of Bandgaps in Acoustic Metamaterials with Stochastic Geometric Defects and Material Properties

Han Zhang, Rayehe Karimi Mahabadi, Cynthia Rudin +2

This paper studies the utility of techniques within uncertainty quantification, namely spectral projection and polynomial chaos expansion, in reducing sampling needs for characteri…

cond-mat.mtrl-sci2022★ 1 cited

Community Action on FAIR Data will Fuel a Revolution in Materials Research

LC Brinson, LM Bartolo, B Blaiszik +4

Data - arguably the most important product of worldwide materials research investment - are rarely shared. The small and biased proportion of results published are buried in plots…