Crystal structure prediction
Exploring metastable materials through global optimization, structural prototypes, and first-principles validation.
Computational Materials Science
Wang Jianghai 王江海
PhD student in Computational Materials Science at Nanyang Technological University, working on crystal structure prediction, first-principles workflows, and AI-accelerated materials discovery.
Structure
Electronic Response
Learning Potentials
Profile
Materials discovery across computation and learning.
I study how atomic structure, energetic stability, and functional response connect in complex materials. My current interests sit between robust first-principles calculation, efficient structure exploration, and machine learning models that make larger search spaces tractable.
Research
Current interests
First-principles workflows
Connecting electronic structure, phonons, elasticity, dielectric response, and transport calculations for materials discovery.
AI for materials
Using machine learning potentials and data-driven models to accelerate configuration-space exploration.
Publications
Selected publications
Writing
Notes and essays
Contact
Open to academic conversations and collaboration.
For research discussions, collaboration ideas, or questions about my work, the best route is email.