SciML & AI Engineer for Predictive Drug Delivery

Eli Lilly and Company; Indianapolis (IN); On-site; USD 131,000 - 211,000; Full time

Job summary

Eli Lilly and Company in Indianapolis is seeking a highly skilled scientist to build hybrid physics-and-data models and the agentic software layer that empowers researchers. You will design physics-informed networks, operator learning, and gray-box system identification while also engineering AI workflows that call real solvers and data.

Collaborating with DDCS teams, you will ensure provenance, reproducibility, and credibility of results, deploy workflows on HPC or cloud, and help translate

Qualifications

• PhD in applied mathematics, computer science, machine learning, computational mechanics or related field.
• Doctoral research in scientific machine learning — physics‑informed learning, operator learning, surrogate modeling, or hybrid mechanistic‑ML methods.
• Demonstrated experience developing SciML models and validating them against physics‑based simulation or experimental data.
• Strong Python software engineering, including PyTorch or JAX, and Git‑based collaborative development.
• Hands‑on experience building LLM‑enabled workflows including multi‑step agent orchestration and tool calling or retrieval‑augmented generation (RAG).
• Experience running computational work on HPC clusters or cloud infrastructure.
• Peer‑reviewed publications or open‑source contributions in scientific machine learning.

Responsibilities

• Design, train SciML models and validate against data.
• Build LLM‑enabled agentic workflows that call real solvers and data.
• Ensure complete provenance and reproducibility of runs.
• Collaborate with DDCS AI Application Development and Data Sciences teams.
• Package workflows for use by scientists who are not software developers.

Skills

Python software engineering

PyTorch / JAX

Git collaboration

LLM workflows

HPC / Cloud

SciML development

Education

PhD in applied mathematics / CS / ML

Tools

Abaqus

COMSOL

Ansys

OpenFOAM

LAMMPS

GROMACS

Job description

Eli Lilly and Company in Indianapolis is seeking a highly skilled scientist to build hybrid physics-and-data models and the agentic software layer that empowers researchers. You will design physics-informed networks, operator learning, and gray-box system identification while also engineering AI workflows that call real solvers and data.

Collaborating with DDCS teams, you will ensure provenance, reproducibility, and credibility of results, deploy workflows on HPC or cloud, and help translate