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Computational Chemical Engineering Jobs (NOW HIRING)

D. in Mechanical Engineering, Materials Science, Chemical Engineering, or a closely related computational/physics field. * Core Simulation Expertise: Deep and extensive experience in atomistic ...

Expertise with mathematical modeling, theoretical scaling calculations, computational fluid ... Bachelor's degree in Chemical Engineering, Bioengineering, Biological Engineering, or a related ...

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Computational Chemical Engineering information

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How much do computational chemical engineering jobs pay per year?

As of Jun 1, 2026, the average yearly pay for computational chemical engineering in the United States is $135,168.00, according to ZipRecruiter salary data. Most workers in this role earn between $125,000.00 and $148,500.00 per year, depending on experience, location, and employer.

What is a Computational Chemical Engineering job?

A Computational Chemical Engineering job involves using computer simulations, mathematical models, and algorithmic techniques to analyze and optimize chemical processes. Engineers in this field apply computational tools to study reaction kinetics, transport phenomena, and materials at various scales, from molecular to industrial processes. These professionals work in industries such as pharmaceuticals, energy, and materials science to improve efficiency, safety, and sustainability. Their expertise is essential for developing new technologies, designing experiments, and solving complex engineering problems.

What are the key skills and qualifications needed to thrive in the Computational Chemical Engineering position, and why are they important?

To excel in Computational Chemical Engineering, you need a solid background in chemical engineering principles, applied mathematics, and computer programming, typically supported by a relevant degree. Familiarity with simulation software such as Aspen Plus, MATLAB, or COMSOL, and experience with coding languages like Python or C++, are commonly required; certifications in process modeling or data analysis can be advantageous. Strong analytical thinking, teamwork, and effective communication skills help professionals solve complex problems and present findings to multidisciplinary teams. These capabilities are vital for developing accurate simulations, optimizing processes, and facilitating innovation in industrial and research settings.

What are typical daily responsibilities for someone working in Computational Chemical Engineering?

Professionals in Computational Chemical Engineering typically spend their days developing and running mathematical models to simulate chemical processes, analyzing large datasets, and optimizing system designs. They often collaborate closely with process engineers, researchers, and IT specialists to interpret modeling results and translate them into practical recommendations for process improvements. Regular responsibilities also include preparing technical documentation, presenting findings to project teams or stakeholders, and troubleshooting simulation or software issues as needed. This role offers a balance of independent computational work and teamwork, making it both technically challenging and highly collaborative.
What cities are hiring for Computational Chemical Engineering jobs? Cities with the most Computational Chemical Engineering job openings:
What are the most commonly searched types of Computational Chemical Engineering jobs? The most popular types of Computational Chemical Engineering jobs are:
What states have the most Computational Chemical Engineering jobs? States with the most job openings for Computational Chemical Engineering jobs include:
Infographic showing various Computational Chemical Engineering job openings in the United States as of May 2026, with employment types broken down into 4% Internship, 80% Full Time, 8% Part Time, and 8% Contract. Highlights an 83% In-person, and 17% Remote job distribution, with an average salary of $135,168 per year, or $65 per hour.
Advisor - Computational Modeling Engineer

Advisor - Computational Modeling Engineer

Lilly

Indianapolis, IN

Full-time

Medical, Dental, Vision, Life, Retirement, PTO

Posted 24 days ago


Eli Lilly and Company rating

8.8

Company rating: 8.8 out of 10

Based on 62 frontline employees who took The Breakroom Quiz

12th of 71 rated pharmaceutical


Job description

At Lilly, we unite caring with discovery to make life better for people around the world. We are a global healthcare leader headquartered in Indianapolis, Indiana. Our employees around the world work to discover and bring life-changing medicines to those who need them, improve the understanding and management of disease, and give back to our communities through philanthropy and volunteerism. We give our best effort to our work, and we put people first. We're looking for people who are determined to make life better for people around the world.

Organization Overview

Lilly is at a critical juncture as we tool up to realize the potential of our product pipeline. We are building new processing capabilities around the world, and emphasizing emerging, innovative technologies, such as continuous processing, biotech platforms, and advanced data and control systems. Additionally, we are recapitalizing older assets, and bringing the operational philosophies in line with current technologies. Lilly places a high value on fully automated manufacturing processes, as the quality and operational benefits are baseline expectations of new process design.

Digital Manufacturing Engineering (DME) is part of the Corporate Engineering Tech Center (ETC). The ETC is a technical resource for training, standards, project implementation, and the center of engineering excellence for the corporation, providing deeply technical resources to solve the most intractable technical problems in manufacturing. DME provides Digital Engineering Platform ownership, OT data integration solutions, engineering data standardization/ownership, and digital manufacturing solutions for Lilly Manufacturing. Our team focuses on connecting our facilities (securely) and leveraging the data from those facilities to deliver digital manufacturing solutions to improve manufacturing productivity, data integrity / compliance, quality, and operational excellence. Digital Manufacturing Technologies include digital twins, computational modeling, edge/IoT, and analytics solutions. Digital Engineering Platforms include CMMS (Computerized Maintenance Management System), GECMS (Global Engineering Content Management System) and many other digital platforms leveraged by engineers across Lilly Manufacturing.

Position Description and Responsibilities

The Advisor - Computational Modeling will provide diverse modeling expertise and develop computational models that drive decisions to design new manufacturing processes and improve existing ones across Lilly's global manufacturing network. This role applies modeling techniques across a broad range of domains - including physical properties, unit operations, scale-up, numerical and multiphysics simulation, discrete event simulation, and resource and operational logistics optimization - to support both continuous/batch process operations and discrete manufacturing operations such as parenteral fill/finish, device assembly, and packaging. A core focus of the role is the development of Digital Twin computational models that provide online modeling capabilities to manufacturing facilities, in alignment with the Engineering Digital Strategy for Manufacturing and Quality within Lilly. This is a global role, supporting functional initiatives and all Lilly Manufacturing sites globally.

This role is a technical engineering role at the R4-R6 level on the Tech Ladder, requiring a minimum MS degree in Chemical Engineering, Mechanical Engineering, Industrial Engineering, Operations Research, or a related field. The position requires deep technical expertise in computational modeling and simulation, strong fundamentals in the underlying physics, mathematics, and first-principles concepts from which models are formulated, and the ability to complement model-based solutions with laboratory investigation, empirical validation, or validation against site operating data when appropriate. The engineer will partner with the data leads within the DME team to ensure necessary data is available to support their models, and will work closely with manufacturing site process and plant engineers, corporate function engineers, and development engineers/scientists to deliver rigorous technical solutions.

The primary focus of the role is to develop and deploy simulation and optimization models that increase manufacturing capacity, resilience, compliance, and inspection readiness, and that support operational excellence goals for safety, quality, and supply. The engineer will also serve as an internal advocate for first-principles and model-based methods, fostering the use of modeling tools by colleagues outside DME through instruction, consultation, and the development of internal collaborations.

Key Objectives/Deliverables

  • Develop and deploy simulation and optimization models to drive decisions that help design new and/or improve existing manufacturing and logistics processes.
  • Apply a broad range of modeling techniques as appropriate to the problem - including steady-state and dynamic process simulation, computational fluid dynamics (CFD) and multiphysics simulation, discrete event simulation, and nonlinear/mixed-integer optimization - across both continuous/batch and discrete manufacturing domains.
  • Develop Digital Twin computational models to provide online modeling capabilities to Lilly manufacturing facilities.
  • Deliver sound interpretation of modeling results by maintaining in-depth knowledge of the underlying physics, first-principles concepts, and numerical methods from which models are formulated and solved.
  • Complement model-based solutions with laboratory investigation, empirical validation, or validation against site operating data when appropriate.
  • Prepare internal technical reports to document work and to contribute to the product or process body of knowledge, and when appropriate, publish and/or present work externally.
  • Maintain and grow the functional value of modeling within Lilly by developing appropriate internal collaborations and sharing key learnings broadly at appropriate internal forums so colleagues can identify projects that may benefit from model-based analysis.
  • Foster the use of modeling tools by colleagues outside DME by providing instruction, consultation, and continuously advocating the use of first-principles techniques and model-based methods.
  • Identify and implement modeling advances that bring value to Lilly by maintaining awareness of new developments in the external modeling landscape.
  • Develop collaborations with appropriate external partners to help manage workload and to gain additional expertise.
  • Partner with data leads within DME to provide data requirements that support computational models and Digital Twin solutions.

Basic Qualifications

  • Minimum MS degree in Chemical Engineering, Mechanical Engineering, Industrial Engineering, Operations Research, or a related field.
  • Minimum of 4 years of related work experience (graduate research included).
  • Experience developing models in one or more of the following: steady-state simulation, dynamic simulation, computational fluid dynamics (CFD), discrete event simulation, nonlinear programming, or mixed-integer linear programming.

Additional Skills/Preferences

  • Strong technical writing and presentation skills.
  • Capability to solve complex issues with minimal supervision.
  • Demonstrated working knowledge of the underlying physics, first-principles concepts, and numerical methods from which computational models are formulated and solved.
  • Experience with chemical process modeling, scale-up, and unit operation simulation.
  • Experience with capacity analysis, line balancing, scheduling, or logistics optimization in a manufacturing environment.
  • Experience developing simulation and optimization models leveraging commercial software tools such as ANSYS-Fluent, M-Star, COMSOL, aspenONE, AFT Fathom, ExtendSim, or Frontline Solver.
  • Experience with statistical analysis and data/model fitting leveraging commercial software tools such as JMP or similar.
  • Experience developing digital twins of manufacturing processes or production lines.
  • Experience working with validated systems and in a GMP/pharmaceutical industry environment.
  • Ability to work well across different cultures and global manufacturing sites.

Additional Information

  • Monday through Friday Day Shift of 7:30am-4:30pm with some allowance for flex time.
  • Location: Indianapolis, IN
  • Travel: Limited Domestic and International travel required (less than 10%)

Lilly is dedicated to helping individuals with disabilities to actively engage in the workforce, ensuring equal opportunities when vying for positions. If you require accommodation to submit a resume for a position at Lilly, please complete the accommodation request form (https://careers.lilly.com/us/en/workplace-accommodation) for further assistance. Please note this is for individuals to request an accommodation as part of the application process and any other correspondence will not receive a response.

Lilly is proud to be an EEO Employer and does not discriminate on the basis of age, race, color, religion, gender identity, sex, gender expression, sexual orientation, genetic information, ancestry, national origin, protected veteran status, disability, or any other legally protected status.


Our employee resource groups (ERGs) offer strong support networks for their members and are open to all employees. Our current groups include: Africa, Middle East, Central Asia Network, Black Employees at Lilly, Chinese Culture Network, Japanese International Leadership Network (JILN), Lilly India Network, Organization of Latinx at Lilly (OLA), PRIDE (LGBTQ+ Allies), Veterans Leadership Network (VLN), Women's Initiative for Leading at Lilly (WILL), enAble (for people with disabilities). Learn more about all of our groups.

Actual compensation will depend on a candidate's education, experience, skills, and geographic location. The anticipated wage for this position is

$129,000 - $209,000

Full-time equivalent employees also will be eligible for a company bonus (depending, in part, on company and individual performance). In addition, Lilly offers a comprehensive benefit program to eligible employees, including eligibility to participate in a company-sponsored 401(k); pension; vacation benefits; eligibility for medical, dental, vision and prescription drug benefits; flexible benefits (e.g., healthcare and/or dependent day care flexible spending accounts); life insurance and death benefits; certain time off and leave of absence benefits; and well-being benefits (e.g., employee assistance program, fitness benefits, and employee clubs and activities).Lilly reserves the right to amend, modify, or terminate its compensation and benefit programs in its sole discretion and Lilly's compensation practices and guidelines will apply regarding the details of any promotion or transfer of Lilly employees.

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About Eli Lilly

Sourced by ZipRecruiter

Eli Lilly, based in Indianapolis, IN, US, is one of the pioneers in the pharmaceutical industry with a rich history dating back to 1876. This global pharmaceutical company focuses on discovering, developing, manufacturing and selling pharmaceutical products in approximately 120 countries. The company's product categories include endocrinology, oncology, cardiovascular, neuroscience, and immunology. Having invested over $9 billion in research and development in the past decade, Eli Lilly is also committed to creating high-quality medicines that meet real needs. As a recipient of several awards and recognitions, Eli Lilly is known for its focus on life-saving research and drug development. Their mission is to make medicines that help people live longer, healthier, and more active lives.

Industry

Pharmaceutical product wholesalers

Company size

10,000+ Employees

Headquarters location

Indianapolis, IN, US

Year founded

1876