Talk
NexusNMR: 智能固体核磁共振谱图分析系统
- Type
- Talk
- Date
- December 29, 2025
- Venue
- 深势科技年会 (DP Technology Annual Conference)
- Location
- Beijing, China
Invited talk at the DP Technology Annual Conference 2025 in Beijing.
Topic: NexusNMR——智能固体核磁共振谱图分析系统
NexusNMR is an end-to-end automated analysis platform for solid-state NMR (ssNMR) spectroscopy, designed to address the critical challenges in materials and pharmaceutical research.
Key Points:
- Problem: ssNMR analysis faces high barriers to entry and strong subjectivity in manual analysis, affecting reproducibility
- Solution: Physics-informed AI Agent with integrated physical prior database, enabling fully automated workflow from spectrum processing to report generation
- Technical Highlights:
- Differential topology and nonlinear optimization in high-dimensional non-convex space
- Prediction range approach to handle computational uncertainties
- Achieved R² = 0.9669 on complex Q₀-Q₄ silicon species distribution
- Impact: Reduces analysis time from hours to seconds while maintaining publication-quality accuracy