| ABC | Artificial bee colony |
| AFLOW | Automatic Flow |
| AgNP | Silver nanoparticle |
| AI | Artificial intelligence |
| ANN | Artificial neural network |
| CNN | Convolutional neural network |
| COD | Crystallography Open Database |
| CSD | Cambridge Structural Database |
| DBM | Deep Boltzmann machine |
| DBN | Deep belief network |
| DFT | Density functional theory |
| DNN | Deep neural network |
| DT | Decision tree |
| FDTD | Finite-difference time-domain |
| FRP | Fiber-reinforced polymer |
| GAN | Generative adversarial network |
| GBRT | Gradient boosted regression tree |
| GGA | Generalized gradient approximation |
| GLOnet | Global optimization network |
| HEA | High-entropy alloy |
| HHV | Higher heating value |
| ICA | Imperialist competitive algorithm |
| ICSD | Inorganic Crystal Structure Database |
| JAMIP | Jilin Artificial-intelligence aided Materials-design Integrated Package |
| KNN | K-nearest neighbor |
| LSTM | Long short-term memory |
| MDN | Mixture density network |
| ML | Machine learning |
| MLP | Multilayer perceptron |
| MOF | Metal–organic framework |
| MONC | Metal–organic nanocapsule |
| NMR | Nuclear magnetic resonance |
| OMDB | Organic Materials Database |
| OQMD | Open Quantum Materials Database |
| QD | Quantum dot |
| QSAR | Quantitative structure–activity relationship |
| R-CNN | Region-based CNN |
| ResNet | Residual network |
| RF | Random forest |
| RMSE | Root mean square error |
| RNN | Recurrent neural network |
| SEM | Scanning electron microscope |
| SHM | Structural health monitoring |
| SMILE | Simplified molecular input line entry |
| SVM | Support vector machine |
| SVR | Support vector regression |
| TEM | Transmission electron microscope |
| TGNN | Tupleswise graph neural network |
| UHPC | Ultra-high-performance concrete |
| XGBoost | eXtreme gradient boosting |
| XPS | X-ray photoelectron spectroscopy |
| XRD | X-ray diffraction |
| μ-PTAMAM | Micro-plasma transfer arc metal additive manufacturing |