Scientific ML & Agentic Workflows Engineer

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

Benefits offered by this job

Job summary

Eli Lilly and Company in Indianapolis, IN, seeks a scientist-engineer to design and implement SciML models and agentic workflows that accelerate physics-based simulation and data analysis. You will work with real solvers and data, validate against experiments, and embed rigorous provenance and governance.

The role emphasizes Python engineering, PyTorch/JAX, HPC/cloud execution, and cross‑functional collaboration to deliver reproducible, credible insights for drug product and process development.

Qualifications

• PhD in applied mathematics, computer science, machine learning, computational mechanics or physics, chemical, mechanical, or biomedical engineering, or a related field
• 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
• Ability to design, implement, validate, and support complex workflows with credibility and traceability

Responsibilities

• Design, train, and validate SciML models with physics-informed networks and operator learning
• Build LLM-based agentic workflows to plan, set up, execute, and post-process modeling tasks with real solvers
• Ensure provenance, reproducibility, and defensible credibility of all results
• Write maintainable code with CI/CD and containerization
• Collaborate across product development functions to fit workflows into existing processes

Skills

Python engineering

PyTorch

JAX

Git workflows

LLM workflows

HPC/Cloud

SciML prototyping

Education

PhD in related field

Tools

Abaqus

COMSOL

Ansys

OpenFOAM

LAMMPS

GROMACS

Job description

Eli Lilly and Company in Indianapolis, IN, seeks a scientist-engineer to design and implement SciML models and agentic workflows that accelerate physics-based simulation and data analysis. You will work with real solvers and data, validate against experiments, and embed rigorous provenance and governance.

The role emphasizes Python engineering, PyTorch/JAX, HPC/cloud execution, and cross‑functional collaboration to deliver reproducible, credible insights for drug product and process development.