Saved in:
| Main Authors: | Yang, Fengxu, Evans, Jack D. |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2602.00185 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
MLIP-MC: A Framework for Adsorption Simulations using Machine-Learned Interatomic Potentials
by: Edwards, Connor W., et al.
Published: (2026)
by: Edwards, Connor W., et al.
Published: (2026)
Large language models in materials science and the need for open-source approaches
by: Yang, Fengxu, et al.
Published: (2025)
by: Yang, Fengxu, et al.
Published: (2025)
Harnessing AtomisticSkills for Agentic Atomistic Research
by: Deng, Bowen, et al.
Published: (2026)
by: Deng, Bowen, et al.
Published: (2026)
Atomistic Simulation Guided Convolutional Neural Networks for Thermal Modeling of Friction Stir Welding
by: Mishra, Akshansh
Published: (2025)
by: Mishra, Akshansh
Published: (2025)
MatterTune: An Integrated, User-Friendly Platform for Fine-Tuning Atomistic Foundation Models to Accelerate Materials Simulation and Discovery
by: Kong, Lingyu, et al.
Published: (2025)
by: Kong, Lingyu, et al.
Published: (2025)
Autonomous Multi-objective Alloy Design through Simulation-guided Optimization
by: Yang, Penghui, et al.
Published: (2025)
by: Yang, Penghui, et al.
Published: (2025)
Toward Autonomous Computational Catalysis Research via Agentic Systems
by: Chen, Honghao, et al.
Published: (2026)
by: Chen, Honghao, et al.
Published: (2026)
GENIUS: An Agentic AI Framework for Autonomous Design and Execution of Simulation Protocols
by: Soleymanibrojeni, Mohammad, et al.
Published: (2025)
by: Soleymanibrojeni, Mohammad, et al.
Published: (2025)
Benchmarking Universal Interatomic Potentials on Zeolite Structures
by: Ito, Shusuke, et al.
Published: (2025)
by: Ito, Shusuke, et al.
Published: (2025)
MatFormBench: A Benchmarking Evaluation Framework for Target-Driven Materials Formulation
by: Wu, Linhan, et al.
Published: (2026)
by: Wu, Linhan, et al.
Published: (2026)
An Agentic Framework for Autonomous Materials Computation
by: Xia, Zeyu, et al.
Published: (2025)
by: Xia, Zeyu, et al.
Published: (2025)
An Agentic Framework for Autonomous Metamaterial Modeling and Inverse Design
by: Lu, Darui, et al.
Published: (2025)
by: Lu, Darui, et al.
Published: (2025)
Benchmarking bandgap prediction in semiconductors under experimental and realistic evaluation settings
by: Wang, Haolin, et al.
Published: (2026)
by: Wang, Haolin, et al.
Published: (2026)
Probabilistic Phase Labeling and Lattice Refinement for Autonomous Material Research
by: Chang, Ming-Chiang, et al.
Published: (2023)
by: Chang, Ming-Chiang, et al.
Published: (2023)
QMBench: A Research Level Benchmark for Quantum Materials Research
by: Wang, Yanzhen, et al.
Published: (2025)
by: Wang, Yanzhen, et al.
Published: (2025)
Born-Qualified: An Autonomous Framework for Deploying Advanced Energy and Electronic Materials
by: Spurgeon, Steven R., et al.
Published: (2026)
by: Spurgeon, Steven R., et al.
Published: (2026)
CASCADE: Cumulative Agentic Skill Creation through Autonomous Development and Evolution
by: Huang, Xu, et al.
Published: (2025)
by: Huang, Xu, et al.
Published: (2025)
Coupling Language Models with Physics-based Simulation for Synthesis of Inorganic Materials
by: Staley, Edward W., et al.
Published: (2026)
by: Staley, Edward W., et al.
Published: (2026)
From Data to Theory: Autonomous Large Language Model Agents for Materials Science
by: Alfred, Samuel Onimpa, et al.
Published: (2026)
by: Alfred, Samuel Onimpa, et al.
Published: (2026)
Mind the Gap: Bridging the Divide Between AI Aspirations and the Reality of Autonomous Characterization
by: Guinan, Grace, et al.
Published: (2025)
by: Guinan, Grace, et al.
Published: (2025)
LLM-Guided Open Hypothesis Learning from Autonomous Scanning Probe Microscopy Experiments
by: Slautin, Boris, et al.
Published: (2026)
by: Slautin, Boris, et al.
Published: (2026)
PhononBench:A Large-Scale Phonon-Based Benchmark for Dynamical Stability in Crystal Generation
by: Han, Xiao-Qi, et al.
Published: (2025)
by: Han, Xiao-Qi, et al.
Published: (2025)
Benchmarking Universal Machine-Learned Interatomic Potentials for High-Temperature Metal-Organic Framework Chemistry
by: Edwards, Connor W., et al.
Published: (2026)
by: Edwards, Connor W., et al.
Published: (2026)
Universal Machine Learning Kohn-Sham Hamiltonian for Materials
by: Zhong, Yang, et al.
Published: (2024)
by: Zhong, Yang, et al.
Published: (2024)
DREAMS: Density Functional Theory Based Research Engine for Agentic Materials Simulation
by: Wang, Ziqi, et al.
Published: (2025)
by: Wang, Ziqi, et al.
Published: (2025)
LLMatDesign: Autonomous Materials Discovery with Large Language Models
by: Jia, Shuyi, et al.
Published: (2024)
by: Jia, Shuyi, et al.
Published: (2024)
Evaluating Mechanical Property Prediction across Material Classes using Molecular Dynamics Simulations with Universal Machine-Learned Interatomic Potentials
by: Stracke, Konstantin, et al.
Published: (2025)
by: Stracke, Konstantin, et al.
Published: (2025)
Matter-of-Fact: A Benchmark for Verifying the Feasibility of Literature-Supported Claims in Materials Science
by: Jansen, Peter, et al.
Published: (2025)
by: Jansen, Peter, et al.
Published: (2025)
Benchmarking Autonomy in Scientific Experiments: A Hierarchical Taxonomy for Autonomous Large-Scale Facilities
by: Houx, James Le
Published: (2026)
by: Houx, James Le
Published: (2026)
AtomWorld: A Benchmark for Evaluating Spatial Reasoning in Large Language Models on Crystalline Materials
by: Lv, Taoyuze, et al.
Published: (2025)
by: Lv, Taoyuze, et al.
Published: (2025)
CrySPAI: A new Crystal Structure Prediction Software Based on Artificial Intelligence
by: Wang, Zongguo, et al.
Published: (2025)
by: Wang, Zongguo, et al.
Published: (2025)
TopoMAS: Large Language Model Driven Topological Materials Multiagent System
by: Zhang, Baohua, et al.
Published: (2025)
by: Zhang, Baohua, et al.
Published: (2025)
Leveraging Vision Capabilities of Multimodal LLMs for Automated Data Extraction from Plots
by: Polak, Maciej P., et al.
Published: (2025)
by: Polak, Maciej P., et al.
Published: (2025)
ChemGraph-XANES: An Agentic Framework for XANES Simulation and Analysis
by: Grizzi, Vitor F., et al.
Published: (2026)
by: Grizzi, Vitor F., et al.
Published: (2026)
Toward Full Autonomous Laboratory Instrumentation Control with Large Language Models
by: Xie, Yong, et al.
Published: (2026)
by: Xie, Yong, et al.
Published: (2026)
Spin Dynamics from Atomistic Quantum Simulations
by: Drigo, Enrico, et al.
Published: (2026)
by: Drigo, Enrico, et al.
Published: (2026)
OmniXAS: A Universal Deep-Learning Framework for Materials X-ray Absorption Spectra
by: Kharel, Shubha R., et al.
Published: (2024)
by: Kharel, Shubha R., et al.
Published: (2024)
Benchmarking large language models for materials synthesis: the case of atomic layer deposition
by: Yanguas-Gil, Angel, et al.
Published: (2024)
by: Yanguas-Gil, Angel, et al.
Published: (2024)
BOOM: Benchmarking Out-Of-distribution Molecular Property Predictions of Machine Learning Models
by: Antoniuk, Evan R., et al.
Published: (2025)
by: Antoniuk, Evan R., et al.
Published: (2025)
Generative Hierarchical Materials Search
by: Yang, Sherry, et al.
Published: (2024)
by: Yang, Sherry, et al.
Published: (2024)
Similar Items
-
MLIP-MC: A Framework for Adsorption Simulations using Machine-Learned Interatomic Potentials
by: Edwards, Connor W., et al.
Published: (2026) -
Large language models in materials science and the need for open-source approaches
by: Yang, Fengxu, et al.
Published: (2025) -
Harnessing AtomisticSkills for Agentic Atomistic Research
by: Deng, Bowen, et al.
Published: (2026) -
Atomistic Simulation Guided Convolutional Neural Networks for Thermal Modeling of Friction Stir Welding
by: Mishra, Akshansh
Published: (2025) -
MatterTune: An Integrated, User-Friendly Platform for Fine-Tuning Atomistic Foundation Models to Accelerate Materials Simulation and Discovery
by: Kong, Lingyu, et al.
Published: (2025)