Cover Image

Large language models in materials science and the need for open-source approaches

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Yang, Fengxu, Chen, Weitong, Evans, Jack D.
Format:	Preprint
Published:	2025
Subjects:	Computation and Language Materials Science
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

QUASAR: A Universal Autonomous System for Atomistic Simulation and a Benchmark of Its Capabilities
by: Yang, Fengxu, et al.
Published: (2026)

Materials science in the era of large language models: a perspective
by: Lei, Ge, et al.
Published: (2024)

Large language model-enabled automated data extraction for concrete materials informatics
by: Li, Zhanzhao, et al.
Published: (2026)

MaterialFigBENCH: benchmark dataset with figures for evaluating college-level materials science problem-solving abilities of multimodal large language models
by: Yoshitake, Michiko, et al.
Published: (2026)

MLIP-MC: A Framework for Adsorption Simulations using Machine-Learned Interatomic Potentials
by: Edwards, Connor W., et al.
Published: (2026)

Text-to-Battery Recipe: A language modeling-based protocol for automatic battery recipe extraction and retrieval
by: Lee, Daeun, et al.
Published: (2024)

Accelerating materials discovery for polymer solar cells: Data-driven insights enabled by natural language processing
by: Shetty, Pranav, et al.
Published: (2024)

Fine-tuning large language models for domain adaptation: Exploration of training strategies, scaling, model merging and synergistic capabilities
by: Lu, Wei, et al.
Published: (2024)

Reshaping MOFs text mining with a dynamic multi-agents framework of large language model
by: Lin, Zuhong, et al.
Published: (2025)

Materials Graph Library (MatGL), an open-source graph deep learning library for materials science and chemistry
by: Ko, Tsz Wai, et al.
Published: (2025)

LLM4Mat-Bench: Benchmarking Large Language Models for Materials Property Prediction
by: Rubungo, Andre Niyongabo, et al.
Published: (2024)

Adsorb-Agent: Autonomous Identification of Stable Adsorption Configurations via Large Language Model Agent
by: Ock, Janghoon, et al.
Published: (2024)

MaterialBENCH: Evaluating College-Level Materials Science Problem-Solving Abilities of Large Language Models
by: Yoshitake, Michiko, et al.
Published: (2024)

Utilizing SciPy and other open source packages to provide a powerful API for materials manipulation in the Schrödinger Materials Suite
by: Fonari, Alexandr, et al.
Published: (2025)

Reliable End-to-End Material Information Extraction from the Literature with Source-Tracked Multi-Stage Large Language Models
by: Wang, Xin, et al.
Published: (2025)

MatTools: Benchmarking Large Language Models for Materials Science Tools
by: Liu, Siyu, et al.
Published: (2025)

QERaman: An open-source program for calculating resonance Raman spectra based on Quantum ESPRESSO
by: Hung, Nguyen T., et al.
Published: (2023)

Sampling Latent Material-Property Information From LLM-Derived Embedding Representations
by: Gilligan, Luke P. J., et al.
Published: (2024)

AtomWorld: A Benchmark for Evaluating Spatial Reasoning in Large Language Models on Crystalline Materials
by: Lv, Taoyuze, et al.
Published: (2025)

Foundational Large Language Models for Materials Research
by: Mishra, Vaibhav, et al.
Published: (2024)

MADAS -- A Python framework for assessing similarity in materials-science data
by: Kuban, Martin, et al.
Published: (2024)

LLMatDesign: Autonomous Materials Discovery with Large Language Models
by: Jia, Shuyi, et al.
Published: (2024)

Enhancing Large Language Models with Domain-Specific Knowledge: The Case in Topological Materials
by: Xu, HuangChao, et al.
Published: (2024)

Language-Native Materials Processing Design by Lightly Structured Text Database and Reasoning Large Language Model
by: Liu, Yuze, et al.
Published: (2025)

LLaMP: Large Language Model Made Powerful for High-fidelity Materials Knowledge Retrieval and Distillation
by: Chiang, Yuan, et al.
Published: (2024)

Iterative Corpus Refinement for Materials Property Prediction Based on Scientific Texts
by: Zhang, Lei, et al.
Published: (2025)

Text to Band Gap: Pre-trained Language Models as Encoders for Semiconductor Band Gap Prediction
by: Yeh, Ying-Ting, et al.
Published: (2025)

Extracting Accurate Materials Data from Research Papers with Conversational Language Models and Prompt Engineering
by: Polak, Maciej P., et al.
Published: (2023)

PolyJarvis: LLM Agent for Autonomous Polymer MD Simulations
by: Zhao, Alexander, et al.
Published: (2026)

Reconstructing Materials Tetrahedron: Challenges in Materials Information Extraction
by: Hira, Kausik, et al.
Published: (2023)

Single and Multi-Hop Question-Answering Datasets for Reticular Chemistry with GPT-4-Turbo
by: Rampal, Nakul, et al.
Published: (2024)

MaterioMiner -- An ontology-based text mining dataset for extraction of process-structure-property entities
by: Durmaz, Ali Riza, et al.
Published: (2024)

NLP for Knowledge Discovery and Information Extraction from Energetics Corpora
by: VanGessel, Francis G., et al.
Published: (2024)

From Word2Vec to Transformers: Text-Derived Composition Embeddings for Filtering Combinatorial Electrocatalysts
by: Zhang, Lei, et al.
Published: (2026)

Exploring large language models for microstructure evolution in materials
by: Satpute, Prathamesh, et al.
Published: (2024)

Enhancing Financial Market Predictions: Causality-Driven Feature Selection
by: Liang, Wenhao, et al.
Published: (2024)

Prompting open-source and commercial language models for grammatical error correction of English learner text
by: Davis, Christopher, et al.
Published: (2024)

An efficient open-source framework for high-fidelity 3D surface topography and roughness prediction in milling
by: Bakhshan, Hadi, et al.
Published: (2026)

Polymorphic crystallites model for monolayer amorphous materials
by: Zhu, Le-Ye, et al.
Published: (2026)

TeenyTinyLlama: open-source tiny language models trained in Brazilian Portuguese
by: Corrêa, Nicholas Kluge, et al.
Published: (2024)