AbbVie is looking to streamline and accelerate the structure verification process for Nuclear Magnetic Resonance (NMR) data by developing an AI/ML workflow.
Requirements
- Experience with Python, HPC, SQL, and Gaussian calculation
Responsibilities
- Evaluate the published AI-based models such as DP4/DP5-AI workflow
- Test the workflow on a set of compounds with existing NMR data to assess its reliability
- Improve and enhance the calculation of NMR shifts by leveraging advanced DFT calculations and Bayesian inference
- Design a robust, scalable screening template that integrates the optimized AI model into the NMR identification processes
Other
- Currently enrolled in university, pursuing a PhD in Data Science, Computer Science, Computational Chemistry, Chemistry, or other related field (Chemistry is preferred)
- Must be enrolled in university for at least one semester following the internship
- Strong written and verbal communication skills and the ability to interact effectively with interdisciplinary scientists and engineers
- High attention to detail, creativity in problem solving, and the ability to work both independently and part of a team
- Ability to work on multiple and simultaneous tasks in a fast-paced setting where priorities may change quickly
