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About the News category
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102
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March 18, 2024
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AI–DFT Framework Accelerates Materials Discovery
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12
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January 13, 2026
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Machine-Learning Interatomic Potentials Improve Materials Modeling
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10
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January 8, 2026
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Google DeepMind to Build a Materials Science Lab in the UK
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8
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January 7, 2026
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Single-Atom Catalyst Designed Using Theory and Data
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22
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December 11, 2025
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A Powerful New Tool for Modeling Complex Molecular Structures
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26
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December 11, 2025
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New AI Materials Discovery Hub Planned in the UK
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21
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December 11, 2025
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Machine Learning and Quantum Chemistry Simulate Catalyst Dynamics
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88
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October 17, 2025
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Nobel Prize in Physics 2025: Quantum Computing Revolution
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37
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October 17, 2025
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Researchers unlock machine learning potential with 120 million atomic configurations for materials discovery
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167
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September 5, 2025
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Deep learning automates defect detection in 2D materials
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66
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September 2, 2025
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What is Black Phosphorus?
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59
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December 18, 2024
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Machine learning speeds up prediction of materials' spectral properties
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268
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December 27, 2024
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New material for sodium-ion batteries brings affordable, sustainable future within grasp
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105
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December 23, 2024
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Researchers take 'significant leap forward' with quantum simulation of molecular electron transfer
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92
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December 23, 2024
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Neural networks unlock potential of high-entropy carbonitrides in extreme environments
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109
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December 23, 2024
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Machine learning helps researchers develop perovskite solar cells with near-record efficiency
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61
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December 20, 2024
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Development of a Helmholtz free energy equation of state for fluid and solid phases via artificial neural networks
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49
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December 20, 2024
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New model find molecular interactions key to creating order in active systems
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27
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December 20, 2024
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Active particles reorganize 3D gels into denser porous structures, study shows
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33
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December 20, 2024
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Hugging Face and Entalpic Unveil LeMaterial: Transforming Materials Science Through AI
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51
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December 20, 2024
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Predicting emergence of crystals from amorphous precursors with deep learning potentials
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58
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December 19, 2024
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Layer by layer: How simulations help manufacturing of modern displays
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39
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December 19, 2024
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Nonlinear 'skin effect' unveiled in antiferromagnetic materials
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46
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December 19, 2024
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Faster way to calculate electron structure makes it easier to discover new materials
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35
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December 19, 2024
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Turning Coal into Valuable Material for Electric Vehicle Batteries
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32
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December 19, 2024
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Adsorption performance of g-C3N4/graphene, and MIL-101(Fe)/graphene for the removal of pharmaceutical contaminants: a molecular dynamics simulation study
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43
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December 19, 2024
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Experimental and molecular dynamics study on combustion characteristics of non-stick coal
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28
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December 19, 2024
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Deep reinforcement learning for inverse inorganic materials design
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50
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December 19, 2024
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Data extraction from polymer literature using large language models
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98
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December 19, 2024
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