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Computational Catalysis Jobs (NOW HIRING)

NorthEastern

Postdoctoral Research Associate

Boston, MA

$60K - $85K/yr

... new computational methods to study multiscale processes in catalysis and photochemistry and to design photo-active proteins and macromolecular catalysts. Other projects that align with the lab ...

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How much do computational catalysis jobs pay per hour?

As of Jul 23, 2026, the average hourly pay for computational catalysis in the United States is $54.93, according to ZipRecruiter salary data. Most workers in this role earn between $46.88 and $73.56 per hour, depending on experience, location, and employer.

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

To thrive in Computational Catalysis, you need solid expertise in chemistry, materials science, and computational modeling, often supported by an advanced degree such as a PhD in a relevant field. Familiarity with quantum chemistry software (e.g., VASP, Gaussian, or Quantum ESPRESSO), high-performance computing environments, and coding languages like Python is typically essential. Strong analytical thinking, problem-solving abilities, and effective communication are vital soft skills for conveying complex ideas and collaborating with multidisciplinary teams. These skills ensure accurate simulation of catalytic processes and foster innovation in developing efficient catalysts for industry applications.

What are some of the typical daily responsibilities for a professional in Computational Catalysis?

Professionals in Computational Catalysis spend their days designing and running computer simulations of catalytic systems, analyzing large sets of data, and interpreting results to gain insights into chemical reactions. They often collaborate closely with experimental chemists and materials scientists to validate findings or suggest new experiments. Managing projects, preparing technical reports or publications, and staying updated on the latest computational methods are also common parts of the role. This mix of technical analysis, teamwork, and continuous learning creates a dynamic and intellectually stimulating work environment.

What is a Computational Catalysis job?

A Computational Catalysis job involves using theoretical models, simulations, and data analysis to study and design catalysts for chemical reactions. By leveraging quantum chemistry, density functional theory (DFT), molecular dynamics, and machine learning, computational catalysis helps predict reaction mechanisms, optimize catalyst performance, and guide experimental efforts. Professionals in this field work in academia, industry, or research institutions, often collaborating with experimental chemists and engineers to accelerate catalyst discovery and improve industrial processes.

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Computational Catalysis jobs near you
Infographic showing various Computational Catalysis job openings in the United States as of July 2026, with employment types broken down into 4% Internship, 1% As Needed, 33% Full Time, 57% Part Time, 1% Contract, and 4% Nights. Highlights an 41% Physical, and 59% Remote job distribution, with an average salary of $114,249 per year, or $54.9 per hour.
Postdoctoral Research Associate-1

Postdoctoral Research Associate-1

NorthEastern

Boston, MA

$60K - $85K/yr

Full-time

Medical, Dental, Vision, Life, Retirement, PTO

Posted 27 days ago

Job description

About the Opportunity

Job Summary

The Dong Theoretical and Computational Chemistry Lab at Northeastern University seeks enthusiastic postdoctoral researchers to join as soon as possible. The research focus is on developing and applying first-principles-based and data-driven computational methods to understand multiscale processes and accelerate chemical discoveries for renewable energy, biomedicine, and other areas of societal importance.

Specific projects may involve developing multiscale simulation methods for quantum mechanical properties of macromolecules; developing novel ways to combine quantum chemical methods and machine learning; developing quantum algorithms for computational chemistry on quantum computers; and applying existing and new computational methods to study multiscale processes in catalysis and photochemistry and to design photo-active proteins and macromolecular catalysts. Other projects that align with the lab's general interests are also possible. For further details, visit https://sdonglab.org/.

The initial appointment is for one year, with the potential for extension depending on regular progress evaluation and continuation of funding.


Minimum Qualifications

Required

  • PhD in chemistry, physics, materials science, chemical engineering, bioengineering, or a closely related field
  • Strong problem-solving skills and a high level of self-motivation
  • Experience with at least one of the following areas: excited-state simulation methods, multiscale simulations (QM/MM a plus), catalysis (biological, homogeneous, or heterogeneous), molecular dynamics simulations, sampling techniques, machine learning, or quantum computing; experience in two or more areas is a strong plus
  • Strong oral and written communication skills with a willingness to contribute to a multidisciplinary environment

Preferred

  • Programming skills in Python or Fortran
  • Coding and/or machine learning experience

Key Responsibilities & Accountabilities

  • Conduct original research as the primary responsibility of the role.
  • Write and co-author research papers for publication.
  • Present research at conferences and meetings.
  • Contribute to research proposals and funding applications.
  • Manage research data and software.
  • Assist in mentoring graduate and undergraduate students.

Required Documents

  • Cover letter briefly describing research experience and interests
  • Curriculum vitae (CV) with full publication list
  • Names and contact information for at least three references
  • PhD completion date

Position Type

Research

Additional Information

Northeastern University considers factors such as candidate work experience, education and skills when extending an offer.

Northeastern has a comprehensive benefits package for benefit eligible employees. This includes medical, vision, dental, paid time off, tuition assistance, wellness & life, retirement- as well as commuting & transportation. Visit https://hr.northeastern.edu/benefits/ for more information.

All qualified applicants are encouraged to apply and will receive consideration for employment without regard to race, religion, color, national origin, age, sex, sexual orientation, disability status, or any other characteristic protected by applicable law.

Compensation Grade/Pay Type:

108S

Expected Hiring Range:

$60,315.00 - $85,192.50

With the pay range(s) shown above, the starting salary will depend on several factors, which may include your education, experience, location, knowledge and expertise, and skills as well as a pay comparison to similarly-situated employees already in the role. Salary ranges are reviewed regularly and are subject to change.

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