Contact

Position
Staff
Room
3358
Email

Projects

Projects as Member

NHR Future Project AIC

AI-Accelerated Molecular Structure Prediction

This project aims to enhance molecular structure prediction by integrating AI-driven methods with High-Performance Computing (HPC) and spectroscopic data. Accurate...

AI-Accelerated Molecular Structure Prediction

Publications

2026
Spectral Quantum Chemistry and Infrared Resonance Library for Data-Driven Molecular Spectroscopy 2026 (in press) Anirudh Krishnadas, Jatin Kansal, Nicholas Charron, Anita Ragyanszki BibTeX
DOI
Kansal, Jatin