2026 AI/ML & NMR Structural Verification Intern (PhD)

2026 AI/ML & NMR Structural Verification Intern Overview

Envision spending your summer working with energetic colleagues and inspirational leaders, all while gaining world-class experience in one of the most dynamic organizations in the pharmaceutical industry. This is a reality for AbbVie Interns.

The AI/ML & NMR Structural Verification Intern will interact closely with Data Sciences and Nuclear Magnetic Resonance (NMR) team members to develop an AI/ML workflow using a DP4/DP5 model coupled with Gaussian calculation for NMR structural identification. The goal of the project is to streamline and accelerate the structure verification process. 

Key responsibilities include:

• 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