Hi, this is Yufan Xia.
I am a research student in the Department of Chemistry at The Chinese University of Hong Kong. My research interests include computational chemistry, machine learning, and quantum computing. I am currently working on the development of neural network force field. I am also interested in the application of machine learning in high performance computing and various other fields.
Education
Ph.D. in Computer Science
The University of Melbourne
2024-Present
MPhil. in Chemistry
The Chinese University of Hong Kong
2022-2024
Research Interests
- Machine Learning in Scientific Computing
- Neural Network Force Fields
- High Performance Computing Optimization
- Quantum Chemistry and Computing
- Computational Materials Science
Awards & Honors
- Best Poster Award at IEEE IPDPS 2024
- Hong Kong Government Scholarship, 2024
- RDMA Silver Medal, 2023
Featured Projects
Interactive Demo
ADSALA
Machine learning-driven BLAS optimization for high-performance computing. Achieves 1.5× to 3.0× speedups across multi-core systems. Winner of Best Poster Award at IPDPS 2024.
Try the demo
Neural Network Force Field
Deep learning for molecular dynamics simulation and quantum chemistry applications.