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Full Time Postdoctoral Research Computational Chemistry Jobs

NorthEastern

Postdoctoral Research Associate

Boston, MA

$60.32K - $85.19K/yr

About the Opportunity JOB SUMMARY The Dong Theoretical and Computational Chemistry Lab at Northeastern University seeks an enthusiastic postdoctoral researcher to start as soon as possible. The ...

Saint Louis University

$55.10K - $74.70K/yr

Premila's research group ( at Saint Louis University invites applicants for a postdoctoral research ... and computational chemistry will be preferred. This position is a full-time, benefits-eligible ...

The Pennsylvania State University

... one postdoctoral research position in the field of computational and theoretical chemistry ... BENEFITS Penn State provides a competitive benefits package for full-time employees designed to ...

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How much do full time postdoctoral research computational chemistry jobs pay per year?

As of May 28, 2026, the average yearly pay for full time postdoctoral research computational chemistry in the United States is $85,959.00, according to ZipRecruiter salary data. Most workers in this role earn between $56,000.00 and $116,000.00 per year, depending on experience, location, and employer.

What are the key skills and qualifications needed to thrive as a Full Time Postdoctoral Researcher in Computational Chemistry, and why are they important?

To thrive as a Full Time Postdoctoral Researcher in Computational Chemistry, you need a PhD in chemistry or a related field with a strong background in theoretical methods and molecular modeling. Proficiency in computational software such as Gaussian, VASP, or GROMACS, as well as programming languages like Python or Fortran, is typically required. Excellent problem-solving, communication, and collaboration skills are essential for advancing research and working within interdisciplinary teams. These competencies enable effective research design, data analysis, and the ability to contribute to scientific innovation in computational chemistry.

What are some common challenges faced by full-time postdoctoral researchers in computational chemistry, and how can they be addressed?

Full-time postdoctoral researchers in computational chemistry often encounter challenges such as managing complex computational workloads, keeping pace with rapidly evolving software tools, and balancing independent research with collaborative projects. Effective time management and proactive communication with collaborators can help address these challenges. Additionally, staying engaged with professional networks and attending relevant workshops or conferences can provide support and keep researchers updated with the latest advancements in the field.

What are Full Time Postdoctoral Research Computational Chemistry positions?

Full Time Postdoctoral Research Computational Chemistry positions are advanced research roles for individuals who have recently completed a PhD in chemistry, physics, or a related field, with a focus on computational methods. These postdoctoral researchers work full-time in academic, government, or industry labs, applying computational techniques to study molecular interactions, reaction mechanisms, and materials properties. The goal is to advance scientific knowledge and often contribute to publications, grant proposals, and collaborations with experimentalists. These positions serve as a bridge between doctoral studies and independent research or faculty roles.
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Full Time Postdoctoral Research Computational Chemistry jobs near you
Infographic showing various Full Time Postdoctoral Research Computational Chemistry job openings in the United States as of May 2026, with employment types broken down into 20% Internship, 40% Full Time, and 40% Temporary. Highlights an 100% Physical job distribution, with an average salary of $85,959 per year, or $41.3 per hour.
Postdoctoral Research Associate - Computational Structural Biology & Chemistry

Postdoctoral Research Associate - Computational Structural Biology & Chemistry

Iowa State University

Ames, IA • On-site

Full-time

Medical, Dental, Life, Retirement, PTO

This job post has expired today. Applications are no longer accepted.

Iowa State University rating

7.3

Company rating: 7.3 out of 10

Based on 84 frontline employees who took The Breakroom Quiz

304th of 528 rated colleges and universities

Job description

Position Title:
Postdoctoral Research Associate - Computational Structural Biology & Chemistry
Appointment Type:
Post Doc/Trainee
Job Description:
Summary of Duties and Responsibilities:
We are seeking two highly motivated Postdoctoral Research Associates in computational structural biology and computational chemistry. These positions focus on advancing molecular-level understanding of biomolecular systems through cutting-edge computational approaches.
Successful candidates will conduct research in protein biophysics, biomolecular simulations, and small-molecule modeling, with an emphasis on developing and applying computational methodologies. This includes molecular dynamics simulations, enhanced sampling techniques, free-energy calculations, and quantum-mechanical approaches such as density functional theory (DFT).
A key aspect of this role is contributing beyond standard software use-candidates will be expected to develop, modify, and validate computational methods, including force field parameterization and integration of quantum-derived parameters into simulation workflows.
The positions involve close collaboration with interdisciplinary teams working on proteins, enzymes, ligands, metals, and biomolecular design, bridging computational and experimental research.
Required Minimum Qualifications:
  • Ph.D. in Chemistry, Physics, or Chemical Engineering
  • Demonstrated expertise through peer-reviewed publications in protein biophysics, biomolecular simulations, computational chemistry, or related areas.

Preferred Qualifications:
  • Experience developing or modifying computational methods, including force field parameterization or algorithm development
  • Experience with molecular dynamics simulations, including enhanced sampling methods, free energy calculations, or density functional theory (DFT)
  • Proficiency with GPU-accelerated simulations and high-performance computing environments, including coarse-grained and all-atom modeling approaches
  • Experience integrating advanced techniques such as quantum mechanical calculations, reaction coordinate analysis, or AI/ML methods into structural biology or computational chemistry workflows

Department/Program & College Description:
The Nanovaccine Institute was founded at Iowa State University building upon core partnerships with the University of Iowa and the University of Nebraska Medical Center but has connections with public institutions and private industries across the United States through a consortium of members. Our purpose is to use nano-based technologies to tackle emergent diseases that have a devastating impact on human and animal health.
Department Unit/Website (if applicable):
nanovaccine.iastate.edu
Candidates must be legally authorized to work in the U.S. on an ongoing basis without sponsorship. Immigration sponsorship is not available for this position.
Application Instructions:
To apply for this position, please click on "Apply" and complete the Employment Application. Please be prepared to enter or attach the following:
Resume/Curriculum Vitae
Letter of Application/Cover Letter
Why Choose Iowa State University?
Iowa State Employees enjoy comprehensive health and work-life benefits, including medical and dental, as well as:
  • Retirement benefits including defined benefit and defined contribution plans
  • Generous vacation, holiday, and sick time and leave plans
  • Onsite childcare (Ames, Iowa)
  • Life insurance and long-term disability
  • Flexible Spending Accounts
  • Various voluntary benefits and discounts
  • Employee Assistance Program
  • Wellbeing program
  • Iowa State offers WorkFlex options for some positions. WorkFlex offers flexibility on when, where, and how you do your work. For more information, please speak with the Hiring Manager.

If you have questions regarding this application process, please email employment@iastate.edu, or call 515-294-4800 or Toll Free: 1-877-477-7485.
Proposed Start Date:
June 15, 2026
Number of Months Employed Per Year:
12 Month Work Period
Time Type:
Full time
Pay Grade:
Post Docs
Original Posting Date:
May 18, 2026
Posting Close Date:
May 25, 2026
Job Requisition Number:
R19225
Iowa State University does not discriminate on the basis of race, color, age, ethnicity, religion, national origin, pregnancy, sexual orientation, genetic information, sex, marital status, disability, or status as a U.S. Veteran. Inquiries regarding non-discrimination policies may be directed to Office of Equal Opportunity, 2680 Beardshear Hall, 515 Morrill Road, Ames, Iowa 50011, Tel. 515-294-7612, email eooffice@iastate.edu.
General ISU compensation information can be found on the University Human Resources website. Please note that this is only a list of ranges and individuals will be paid commensurate with qualifications.

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