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Computational Chemical Engineering Jobs (NOW HIRING)

Pacer Group

Chemical Engineer

Columbus, IN

$45 - $54/hr

It offers the opportunity to apply foundational knowledge in catalysis and reaction engineering to ... for computational tools development. * Collaborates - Building partnerships and working ...

MyGradJob

Postdoctoral

Chapel Hill, NC

$41K - $56K/yr

Interested in recruiting a postdoctoral fellow in computational chemical genomics. The project ... programming skills. Experience with developing and maintaining large databases is a plus.

ChampionX

Chemical Data Scientist

Sugar Land, TX · On-site

The Chemical Data Scientist will focus on computational chemistry and molecular modelling. If you ... D. in Chemistry, Geology, Chemical Engineering, Petroleum Engineering or related fields with 6+ ...

ChampionX

Chemical Data Scientist

Sugar Land, TX · On-site

The Chemical Data Scientist will focus on computational chemistry and molecular modelling. If you ... D. in Chemistry, Geology, Chemical Engineering, Petroleum Engineering or related fields with 6+ ...

SES

Computational Materials Scientist

Woburn, MA · On-site +1

$180K - $200K/yr

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

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How much do computational chemical engineering jobs pay per year?

As of Jun 21, 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 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.

Can a Chemical Engineer make 200k a year?

Senior chemical engineers with extensive experience, advanced skills, and working in high-paying industries or locations can earn salaries of $200,000 or more annually. Factors such as industry, geographic region, level of education, and professional certifications influence earning potential in chemical engineering roles.

Do chemical engineers do CFD?

Chemical engineers often use computational fluid dynamics (CFD) as a tool to model and analyze fluid flow, heat transfer, and chemical reactions in processes and equipment. Proficiency in CFD software like ANSYS Fluent or OpenFOAM is common, especially for process design, optimization, and research tasks within the field.

Is computational chemistry in demand?

Computational chemical engineering is in demand due to its role in optimizing chemical processes, drug discovery, and materials development. Professionals with skills in modeling, simulation, and programming are sought after in industries such as pharmaceuticals, energy, and manufacturing, often requiring knowledge of tools like MATLAB, Python, or specialized simulation software.

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 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 engineers make $500,000?

Highly experienced engineers in specialized fields such as petroleum, aerospace, or software engineering can earn $500,000 or more annually, often through a combination of base salary, bonuses, and stock options. Senior roles requiring advanced skills, certifications, and leadership responsibilities are typically associated with such high compensation levels.
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Computational Chemical Engineering jobs near you
Assistant Computational Chemist / Chemical Engineer - Catalysis

Assistant Computational Chemist / Chemical Engineer - Catalysis

Argonne National Laboratory

Lemont, IL • On-site

$94K - $147K/yr

Full-time

Posted 29 days ago

Job description

The Chemical Sciences and Engineering Division at Argonne National Laboratory invites applications for a regular, full-time Assistant Computational Chemist / Chemical Engineer position. The successful candidate will lead and contribute to computational research in electrocatalysis and heterogeneous catalysis, working closely with experimental collaborators to advance fundamental understanding and catalyst design.
This role involves conducting multiscale modeling, spectroscopy simulations, and the development of machine learning methods and automated workflows for multi-fidelity, multiscale, and multiphysics simulations. The research will be closely integrated with corresponding experimental efforts.
Key Responsibilities
  • Perform computational studies in electrocatalysis and heterogeneous catalysis
  • Develop and apply multiscale modeling approaches to catalytic systems
  • Conduct spectroscopy simulations, including techniques such as XANES, EXAFS, and Mössbauer spectroscopy
  • Develop and implement machine learning methods and automated workflows for complex catalytic simulations
  • Collaborate closely with experimental researchers to interpret results and guide catalyst development
  • Contribute to proposal development and funding applications
  • Mentor postdoctoral researchers and graduate students

Position Requirements
  • Ph.D. in physical chemistry, inorganic chemistry, computational materials science, chemical engineering, or a related field, along with 3-6 years of postdoctoral research experience
  • Comprehensive understanding of quantum mechanics and catalysis
  • Extensive experience in heterogeneous thermal catalysis and electrocatalysis, including:
    • catalyst design
    • mechanistic studies
    • microkinetic modeling
    • reactor modeling
  • Strong computational expertise in applying quantum mechanical methods to determine electronic structure, catalytic properties, and reaction mechanisms
  • Demonstrated experience in spectroscopy simulations, including XANES, EXAFS, and Mössbauer spectroscopy
  • Proficiency in Python and relevant computational platforms
  • At least 1-2 years of experience adapting and implementing AI/ML methods in catalysis, including:
    • machine learning interatomic potentials
    • agentic workflows
  • Experience in proposal writing and funding applications
  • Experience mentoring postdoctoral researchers and graduate students
  • Excellent written and oral communication skills
  • Ability to model Argonne's core values of impact, safety, respect, integrity, and teamwork

Preferred Qualifications
  • Experience with PGM-free oxygen reduction reaction (ORR) catalysts
  • Experience with CO₂ reduction catalysis

RD2: Bachelors and 5+ years of experience, Masters and 3+ years, or PhD and 0+ years, or equivalent
Job Family
Research Development (RD)
Job Profile
Chemistry 2
Worker Type
Regular
Time Type
Full time
The expected hiring range for this position is $94,486.00 - $147,398.94.
Please note that the pay range information is a general guideline only. The pay offered to a selected candidate will be determined based on factors such as, but not limited to, the scope and responsibilities of the position, the qualifications of the selected candidate, business considerations, internal equity, and external market pay for comparable jobs. Additionally, comprehensive benefits are part of the total rewards package.
Click here to view Argonne employee benefits!
As an equal employment opportunity employer, and in accordance with our core values of impact, safety, respect, integrity and teamwork, Argonne National Laboratory is committed to a safe and welcoming workplace that fosters collaborative scientific discovery and innovation. Argonne encourages everyone to apply for employment. Argonne is committed to nondiscrimination and considers all qualified applicants for employment without regard to any characteristic protected by law.
Argonne employees, and certain guest researchers and contractors, are subject to particular restrictions related to participation in Foreign Government Sponsored or Affiliated Activities, as defined and detailed in United States Department of Energy Order 486.1A. You will be asked to disclose any such participation in the application phase for review by Argonne's Legal Department.
All Argonne offers of employment are contingent upon a background check that includes an assessment of criminal conviction history conducted on an individualized and case-by-case basis. Please be advised that Argonne positions require upon hire (or may require in the future) for the individual be to obtain a government access authorization that involves additional background check requirements. Failure to obtain or maintain such government access authorization could result in the withdrawal of a job offer or future termination of employment.

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