Cover Image

Enhancing Materials Discovery with Valence Constrained Design in Generative Modeling

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Cheng, Mouyang, Luo, Weiliang, Tang, Hao, Yu, Bowen, Cheng, Yongqiang, Xie, Weiwei, Li, Ju, Kulik, Heather J., Li, Mingda
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

Structural Constraint Integration in Generative Model for Discovery of Quantum Material Candidates
by: Okabe, Ryotaro, et al.
Published: (2024)

A Foundation Model for Non-Destructive Defect Identification from Vibrational Spectra
by: Cheng, Mouyang, et al.
Published: (2025)

Large Language Model-Guided Prediction Toward Quantum Materials Synthesis
by: Okabe, Ryotaro, et al.
Published: (2024)

Reinforcement learning-guided optimization of critical current in high-temperature superconductors
by: Cheng, Mouyang, et al.
Published: (2025)

AI-Driven Defect Engineering for Advanced Thermoelectric Materials
by: Fu, Chu-Liang, et al.
Published: (2025)

AI‐Driven Defect Engineering for Advanced Thermoelectric Materials
by: Chu‐Liang Fu, et al.
Published: (2025)

Benchmarking Universal Machine Learning Interatomic Potentials for Real-Time Analysis of Inelastic Neutron Scattering Data
by: Han, Bowen, et al.
Published: (2025)

Raman Fingerprints of Phase Transitions and Ferroic Couplings in Van der Waals Material CuCrP$_2$S$_6$
by: Tang, Jing, et al.
Published: (2025)

AI-driven materials design: a mini-review
by: Cheng, Mouyang, et al.
Published: (2025)

Probing Non-Equilibrium Grain Boundary Dynamics with XPCS and Domain-Adaptive Machine Learning
by: Cheng, Mouyang, et al.
Published: (2026)

Discovery of 2D Materials via Symmetry-Constrained Diffusion Model
by: Xu, Shihang, et al.
Published: (2024)

Conditional Generative Modeling for Amorphous Multi-Element Materials
by: Li, Honglin, et al.
Published: (2025)

Anomalous Neutron Nuclear-Magnetic Interference Spectroscopy
by: Fu, Chuliang, et al.
Published: (2024)

A Materials Map Integrating Experimental and Computational Data via Graph-Based Machine Learning for Enhanced Materials Discovery
by: Hashimoto, Yusuke, et al.
Published: (2025)

Many-body Expansion Based Machine Learning Models for Octahedral Transition Metal Complexes
by: Meyer, Ralf, et al.
Published: (2024)

Enhancing High‐Temperature Electrochemical Performance of Single‐Crystal Ultra‐High Nickel Cathodes via High‐Valence Nb Gradient Doping
by: Jixue Shen, et al.
Published: (2026)

Generative Inverse Design for Property‐Targeted Materials Design: Application to Shape Memory Alloys
by: Cheng Li, et al.
Published: (2026)

Physically Constrained 3D Diffusion for Inverse Design of Fiber-reinforced Polymer Composite Materials
by: Xu, Pei, et al.
Published: (2024)

Predicting macroscopic properties of amorphous monolayer carbon via pair correlation function
by: Cheng, Mouyang, et al.
Published: (2024)

Ion‐Valence Engineering in Moisture‐Enabled Electric Generator: Mechanisms, Materials, and Hybrid Systems
by: Lanmin Qiao, et al.
Published: (2025)

Self-Optimizing Machine Learning Potential Assisted Automated Workflow for Highly Efficient Complex Systems Material Design
by: Li, Jiaxiang, et al.
Published: (2025)

Accelerating Discovery of Solid-State Thin-Film Metal Dealloying for 3D Nanoarchitecture Materials Design through Laser Thermal Gradient Treatment
by: Chung, Cheng-Chu, et al.
Published: (2025)

Advanced Dielectric Materials for Triboelectric Nanogenerators: Principles, Methods, and Applications
by: Yi Li, et al.
Published: (2024)

Smart Materials and Devices for Enhanced Delivery of Extracellular Vesicles
by: Yang You, et al.
Published: (2025)

Universal Magnetic Structure Prediction from Atomic Coordinates with Near-Experimental Accuracy
by: Chotrattanapituk, Abhijatmedhi, et al.
Published: (2026)

Beyond the Training Domain: Robust Generative Transition State Models for Unseen Chemistry
by: Darouich, Samir, et al.
Published: (2026)

Generative Inversion for Property-Targeted Materials Design: Application to Shape Memory Alloys
by: Li, Cheng, et al.
Published: (2025)

exa-AMD: An Exascale-Ready Framework for Accelerating the Discovery and Design of Functional Materials
by: Xia, Weiyi, et al.
Published: (2025)

A “Hand‐In‐Hand” Thermal‐Responsive Cyclodextrin Material Designed for Liquid Smart Windows
by: Siyu Hu, et al.
Published: (2024)

Ultrahigh‐Strength and Toughness Ceramic‐Metal Composites With Valence Gradient Interfaces
by: Xiaoyi Sun, et al.
Published: (2026)

A Chemically Grounded Evaluation Framework for Generative Models in Materials Discovery
by: Veillon, Elohan, et al.
Published: (2025)

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

Towards High-Voltage Cathodes for Zinc-Ion Batteries: Discovery Pipeline and Material Design Rules
by: Pascazio, Roberta, et al.
Published: (2025)

Tuning Mixed‐Valence State in Coordination Polymers for Electronics and Optics
by: Hao Liang, et al.
Published: (2025)

Biomimetics‐Driven Design of Micron‐Sized SiO Composites for High‐Performance Lithium‐Ion Batteries
by: Weilan Xu, et al.
Published: (2025)

Frustrated Magnetism in FeGe$_3$O$_4$ with a Chiral Trillium Network
by: Boswell, Matt, et al.
Published: (2026)

Piezoelectric Stimulation of Neural Cells: Exploring the Synergistic Potential of Hybrid Scaffolds for Enhanced Regeneration
by: Heather F. Titterton, et al.
Published: (2025)

Ice Microsphere Optical Cavities (Advanced Optical Materials 18/2024)
by: Xiangzheng Li, et al.
Published: (2024)

Mechanism of Charge Transport in Mixed-Valence 2D Layered Hybrid Bronze Materials
by: Akter, Suchona, et al.
Published: (2025)

Dual‐Core Engineering for Efficient Deep‐Blue Multiple Resonance Thermally Activated Delayed Fluorescent Materials
by: Hao‐Nan Shi, et al.
Published: (2024)