Cover Image

Self-Optimizing Machine Learning Potential Assisted Automated Workflow for Highly Efficient Complex Systems Material Design

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Li, Jiaxiang, Feng, Junwei, Luo, Jie, Jiang, Bowen, Zheng, Xiangyu, Song, Qigang, Lv, Jian, Butler, Keith, Liu, Hanyu, Xie, Congwei, Xie, Yu, Ma, Yanming
Format:	Preprint
Published:	2025
Subjects:	Materials Science Machine Learning
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Two-Dimensional Graphene-like BeO Sheet: A Promising Deep-Ultraviolet Nonlinear Optical Materials System with Strong and Highly Tunable Second Harmonic Generation
by: Liu, Linlin, et al.
Published: (2025)

Bridging Theory and Experiment in Materials Discovery: Machine-Learning-Assisted Prediction of Synthesizable Structures
by: Xin, Yu, et al.
Published: (2025)

Symmetry‐Aware Equivariant Network for Discovering SHG‐Active Materials
by: Liudmila A. Klimova, et al.
Published: (2025)

Data-driven design of high-temperature superconductivity among ternary hydrides under pressure
by: Jiang, Bowen, et al.
Published: (2024)

High Site Index Drives the Soil Microbial Network Complexity and Function in Chinese Fir Mixed Plantations After Near‐Natural Transformation
by: Jie Lei, et al.
Published: (2025)

Accelerated Discovery of Fluorophosphates as Deep‐Ultraviolet Nonlinear Optical Materials in the Y–P–O–F System: Unveiling New Composition‐Structure‐Property Rules
by: Wenqi Jin, et al.
Published: (2026)

Validation Workflow for Machine Learning Interatomic Potentials for Complex Ceramics
by: Ghaffari, Kimia, et al.
Published: (2024)

Recent Advances in Machine Learning‐Assisted Design and Development of Polymer Materials
by: Longyu Ma, et al.
Published: (2025)

ARES-Phonon: Phonon Calculation Package using Nondiagonal Supercell Finite Displacement Method with Machine Learning
by: Wang, Qian, et al.
Published: (2025)

Graph Neural Network Prediction of Nonlinear Optical Properties
by: Alkabakibi, Yomn, et al.
Published: (2025)

New Ways to Discover Novel Nonlinear Optical Materials: Scaling Machine Learning with Chemical Descriptors Information
by: Ran An, et al.
Published: (2025)

Unraveling the Impact of Curvature on Electrocatalytic Performance of Carbon Materials: A State‐of‐the‐Art Review
by: Hui Wen, et al.
Published: (2024)

Structure‐Prediction‐Oriented Synthesis of Thiophosphates as Promising Infrared Nonlinear Optical Materials
by: Yi Huang, et al.
Published: (2024)

Self-Organizing Agent Network for LLM-based Workflow Automation
by: Xiong, Yiming, et al.
Published: (2025)

The General Theory of Localization Methods
by: Song, Congwei
Published: (2026)

CrystalFlow: A Flow-Based Generative Model for Crystalline Materials
by: Luo, Xiaoshan, et al.
Published: (2024)

exa-AMD: A Scalable Workflow for Accelerating AI-Assisted Materials Discovery and Design
by: Moraru, Maxim, et al.
Published: (2025)

Hop-Decorate: An Automated Atomistic Workflow for Generating Defect Transport Data in Chemically Complex Materials
by: Hatton, Peter, et al.
Published: (2025)

The Necessity of Dynamic Workflow Managers for Advancing Self‐Driving Labs and Optimizers
by: Simon K. Steensen, et al.
Published: (2025)

Predicting Spectroscopic Properties of Solvated Nile Red with Automated Workflows for Machine Learned Interatomic Potentials
by: Eller, Jacob, et al.
Published: (2025)

Entropy-based Active Learning of Graph Neural Network Surrogate Models for Materials Properties
by: Allotey, Johannes, et al.
Published: (2021)

Design, Synthesis, and Antifungal Activity of N'‐ Phenylpicolinohydrazide Derivatives as Potential Antifungal Agents
by: Yuhao Zhang, et al.
Published: (2026)

Artificial Intelligence-Assisted Workflow for Transmission Electron Microscopy: From Data Analysis Automation to Materials Knowledge Unveiling
by: Botifoll, Marc, et al.
Published: (2024)

Couler: Unified Machine Learning Workflow Optimization in Cloud
by: Wang, Xiaoda, et al.
Published: (2024)

Impact of scissors-correction schemes on first-principles calculations of second-harmonic generation in ultraviolet nonlinear-optical crystals
by: Cheng, YingXing, et al.
Published: (2026)

A new framework for atom-resolved decomposition of second-harmonic generation in nonlinear-optical crystals
by: Cheng, YingXing, et al.
Published: (2026)

AutoSynth: Automated Workflow Optimization for High-Quality Synthetic Dataset Generation via Monte Carlo Tree Search
by: Bi, Shuzhen, et al.
Published: (2025)

Automated Multi-Agent Workflows for RTL Design
by: Bhattaram, Amulya, et al.
Published: (2025)

Deep Learning for Protein Complex Prediction and Design
by: Xie, Ziwei
Published: (2026)

Automating Nanoindentation: Optimizing Workflows for Precision and Accuracy
by: Chawla, Vivek, et al.
Published: (2025)

Extracorporeal Membrane Oxygenation Haemoperfusion for Leptospirosis Pulmonary Hemorrhagic Disease: Report of 1 Case
by: Qigang Zeng, et al.
Published: (2026)

Functional Modules Map of Unexplored Chemical Space: Guiding the Discovery of Giant Birefringent Materials
by: Abudukadi Tudi, et al.
Published: (2024)

GPTArticleExtractor: An Automated Workflow for Magnetic Material Database Construction
by: Zhang, Yibo, et al.
Published: (2024)

Automated Machine Learning Pipeline: Large Language Models-Assisted Automated Dataset Generation for Training Machine-Learned Interatomic Potentials
by: Lahouari, Adam, et al.
Published: (2025)

Enhancing Materials Discovery with Valence Constrained Design in Generative Modeling
by: Cheng, Mouyang, et al.
Published: (2025)

Petrogenesis and Mineralisation Potential of the Peigang Pluton in the Middle‐Lower Yangtze Metallogenic Belt, Eastern China
by: Wenchuan Tu, et al.
Published: (2026)

Large Language Models for Combinatorial Optimization of Design Structure Matrix
by: Jiang, Shuo, et al.
Published: (2025)

Large Language Models for Combinatorial Optimization of Design Structure Matrix
by: Jiang, Shuo, et al.
Published: (2024)

Modulation Design and Optimization for RIS-Assisted Symbiotic Radios
by: Zhou, Hu, et al.
Published: (2023)

Multi-component Matching Queues in Heavy Traffic
by: Xie, Bowen
Published: (2022)