Research
Our research interests include:
- Computational Materials Science
- Density Functional Theory
- Molecular Orbital Theory
- Quantum Monte Carlo
- Materials Informatics
- Property Predictions based on Machine Learning
- Data-driven exploration of materials:
- Bayesian Optimization
- Bayesian Inference
- Evolutionary Algorithm
- Biomedical DX
- Data-driven exploration of biomedical materials
- Generative AI for proteins
- eMEDX