Welcome to Jianan Nie's Homepage
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Jianan Nie |
About me
I am a Ph.D. student in the Department of Computer Science at Virginia Tech, advised by Dr. Peng Gao.
I got the M.S. degree in Chemistry from King Abdullah University of Science and Technology (KAUST) in 2022. I received the B.S. degree in Chemical Science from Southern University of Science and Technology (SUSTech).
Research
My research interest lies at the intersection of machine learning and AI for science.
Specifically, I focus on leveraging machine learning to address fundamental challenges in materials science and chemistry. My work involves developing AI/ML models guided by fundamental scientific principles to enhance property prediction, accelerate the design and discovery of novel materials and small molecules.
Recent Publications
ReGNet: Reciprocal Space-Aware Long-Range Modeling and Multi-Property Prediction for Crystals
Jianan Nie, Peiyao Xiao, Kaiyi Ji, Peng Gao. arXiv: 2502.02748
Internship Experience
Intern at Microsoft Research AI for Science – Scientific Foundation Model, 2024
Professional Services
Reviewer, AI4Mat-ICLR, 2025
Reviewer, AI4Mat-NeurIPS, 2024
Teaching Experience
Teaching Assistant, Virginia Tech, CS-4824 Machine Learning, 2024
Teaching Assistant, Virginia Tech, CS-4804 Introduction to Artificial Intelligence, 2023
Honors and Awards
IEEE S&P Student Travel Grant (top tier conference), 2023
CCI SWVA Cyber Innovation Scholarship, 2023
VT Department Travel Grant, 2023
Outstanding Graduate, 2022
KAUST Scholarship, 2022, 2021
SUSTech Academic Scholarship, 2021, 2020, 2019
National Program of Undergraduate Innovation and Entrepreneurship, 2021
Second Prize of Guangdong University Student Art Exhibition, 2021
Advanced Individual Award of SUSTech Volunteer Association, 2020