| MatMMFuse: Multi-Modal Fusion model for Material Property Prediction | Apr 30, 2025 | Band GapFormation Energy | CodeCode Available | 0 |
| Design Topological Materials by Reinforcement Fine-Tuned Generative Model | Apr 17, 2025 | Band Gap | —Unverified | 0 |
| CrystalFormer-RL: Reinforcement Fine-Tuning for Materials Design | Apr 3, 2025 | Band GapDielectric Constant | CodeCode Available | 2 |
| Accurate predictive model of band gap with selected important features based on explainable machine learning | Mar 6, 2025 | Band GapFeature Importance | —Unverified | 0 |
| CAST: Cross Attention based multimodal fusion of Structure and Text for materials property prediction | Feb 6, 2025 | Band GapPrediction | —Unverified | 0 |
| Deep Neural Network for Phonon-Assisted Optical Spectra in Semiconductors | Feb 2, 2025 | Band Gap | —Unverified | 0 |
| A Cartesian Encoding Graph Neural Network for Crystal Structures Property Prediction: Application to Thermal Ellipsoid Estimation | Jan 30, 2025 | ADP PredictionBand Gap | CodeCode Available | 1 |
| Text to Band Gap: Pre-trained Language Models as Encoders for Semiconductor Band Gap Prediction | Jan 7, 2025 | Band GapFeature Engineering | CodeCode Available | 0 |
| Predicting band gap from chemical composition: A simple learned model for a material property with atypical statistics | Jan 6, 2025 | Band Gap | —Unverified | 0 |
| Establishing baselines for generative discovery of inorganic crystals | Jan 4, 2025 | Band GapLanguage Modeling | CodeCode Available | 1 |
| AI-driven Inverse Design of Band-Tunable Mechanical Metastructures for Tailored Vibration Mitigation | Dec 3, 2024 | Band Gap | —Unverified | 0 |
| Graph Transformer Networks for Accurate Band Structure Prediction: An End-to-End Approach | Nov 25, 2024 | Band Gap | —Unverified | 0 |
| Assessing data-driven predictions of band gap and electrical conductivity for transparent conducting materials | Nov 21, 2024 | Band GapProperty Prediction | —Unverified | 0 |
| Energy-GNoME: A Living Database of Selected Materials for Energy Applications | Nov 15, 2024 | Band GapComputational chemistry | —Unverified | 0 |
| Rethinking Gradient-Based Methods: Multi-Property Materials Design Beyond Differentiable Targets | Oct 11, 2024 | Band GapBayesian Optimization | CodeCode Available | 0 |
| Evaluating the Performance and Robustness of LLMs in Materials Science Q&A and Property Predictions | Sep 22, 2024 | Band GapIn-Context Learning | —Unverified | 0 |
| Phononic materials with effectively scale-separated hierarchical features using interpretable machine learning | Aug 15, 2024 | Band GapInterpretable Machine Learning | —Unverified | 0 |
| Enhancing material property prediction with ensemble deep graph convolutional networks | Jul 26, 2024 | Band GapFormation Energy | —Unverified | 0 |
| SciQu: Accelerating Materials Properties Prediction with Automated Literature Mining for Self-Driving Laboratories | Jul 11, 2024 | ArticlesBand Gap | CodeCode Available | 0 |
| Establishing Deep InfoMax as an effective self-supervised learning methodology in materials informatics | Jun 30, 2024 | Band GapFormation Energy | CodeCode Available | 0 |
| A Shared-Aperture Dual-Band sub-6 GHz and mmWave Reconfigurable Intelligent Surface With Independent Operation | Jun 5, 2024 | Band Gap | —Unverified | 0 |
| Dielectric Tensor Prediction for Inorganic Materials Using Latent Information from Preferred Potential | May 15, 2024 | Band GapDecoder | CodeCode Available | 1 |
| Estimation of Electronic Band Gap Energy From Material Properties Using Machine Learning | Mar 8, 2024 | Band Gapregression | —Unverified | 0 |
| Pushing the Pareto front of band gap and permittivity: ML-guided search for dielectric materials | Jan 11, 2024 | Band GapDielectric Constant | CodeCode Available | 1 |
| PyNanospacing: TEM image processing tool for strain analysis and visualization | Nov 27, 2023 | Band Gap | —Unverified | 0 |