RESEARCH PAPER · npj Computational Materials · 2023
A structure translation model for crystal compounds
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Read original paper ↗ ·Machine learning descriptors for crystal materials: applications in Ni-rich layered cathode and lithium anode materials for high-energy-density lithium batteries
Journal of Materials Informatics · 2024-10-28
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Coordination Chemistry Reviews · 2025-01-16
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npj Computational Materials · 2025-07-14
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Read original paper ↗ ·A Comprehensive Review of the Computational Approaches for Structure–Property Prediction of High Entropy Materials
High Entropy Alloys & Materials · 2026-03-01
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Read original paper ↗ ·DeGAT: A Dual-Expert Graph Attention Network for Partial Charge Prediction in Metal–Organic Frameworks
Journal of Chemical Theory and Computation · 2026-08-10
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