2026 AI/ML & NMR Structural Verification Intern

Job Description

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 

Qualifications

Minimum Qualifications 

• 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
• Experience with Python, HPC, SQL, and Gaussian calculation
• 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 

Preferred Qualifications

• Expected graduation date between December 2026 – June 2027