Senior Computational Scientist, Multiscale Drug Delivery

BioSpace; Indianapolis (IN); On-site; USD 120,000 - 180,000; Full time

Benefits offered by this job

Company-sponsored 401(k)

Pension

Vacation benefits

Medical, dental, vision benefits

Well-being programs

Bonus eligibility

Job summary

Lilly in Indianapolis seeks a senior Computational Scientist to develop multiscale, multiphysics models linking molecular properties to drug delivery and PK outcomes. The role spans CFD/FEA, device- and tissue-scale coupling, and strategy for regulatory discussions.

Responsibilities include building reusable modeling platforms, applying AI/ML surrogates, and translating results into actionable device bridging strategies and regulatory-ready arguments.

Qualifications

• Master's degree in a relevant engineering field with 10+ years of multiscale or multiphysics modeling experience.
• Experience with mechanistic PBPK or compartmental modeling linking formulation and device properties to absorption and PK.
• Scripting and customization of multiphysics solvers (Abaqus, COMSOL, Fluent).
• Strong Python skills for model automation, post-processing, and reproducible workflows.
• Experience in HPC environments (e.g., Slurm) and distributed solver execution.
• Experience building/calibrating models with experimental or clinical data and conducting sensitivity analyses.

Responsibilities

• Develop, execute, and interpret multiscale, multiphysics models linking molecular properties to PK outcomes.
• Apply CFD, FEA, particle transport, heat transfer, and diffusion techniques as needed.
• Build coupled PBPK-device/tissue models translating inputs into PK predictions.
• Develop reusable platform tools across molecules, doses, and routes.
• Create automated modeling workflows, scripts, and differentiable calibration frameworks.
• Apply AI/ML for surrogate modeling and physics-informed approaches to accelerate design.
• Identify measurements to resolve modeling questions and partner with analytical/clinical teams.
• Translate model outputs into device-bridging and regulatory arguments for submissions.
• Communicate modeling assumptions/results clearly to cross-functional teams.
• Author/review technical/regulatory reports and contribute to governance of models.

Skills

Multiscale modeling

Multiphysics modeling

PBPK modeling

Python automation

HPC with Slurm

Regulatory documentation

Education

Master's in Mechanical/Chemical/Aerospace/Biomedical Engineering

PhD preferred

Tools

Abaqus scripting

COMSOL LiveLink

Fluent UDFs

Python (NumPy/SciPy)

Job description

Lilly in Indianapolis seeks a senior Computational Scientist to develop multiscale, multiphysics models linking molecular properties to drug delivery and PK outcomes. The role spans CFD/FEA, device- and tissue-scale coupling, and strategy for regulatory discussions.

Responsibilities include building reusable modeling platforms, applying AI/ML surrogates, and translating results into actionable device bridging strategies and regulatory-ready arguments.