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Postdoctoral Research Computational Chemistry Jobs

Research Foundation Cuny

$85 - $90/hr

The postdoc will have access to Empire AI and will be expected to utilize its substantial computational power in their research. The postdoc will be expected to design algorithms that scale ...

Colorado Psychiatric

$90 - $120/hr

... computational chemistry. Demonstrated success in teaching using innovative and inclusive methods. Ph.D. and postdoctoral research experience, including mentoring of undergraduate students. #J-18808 ...

St. Jude Children's Research Hospital

$62 - $83/hr

Prior experience with protein complex analysis, crosslinking chemistry, or integrative modeling is ... Familiarity with computational tools for protein structure analysis, molecular modeling, or large ...

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

As of Sep 5, 2026, the average yearly pay for 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 is a postdoctoral research computational chemistry?

A Postdoctoral Research Computational Chemistry job involves conducting advanced computational modeling and simulations to study chemical systems. Researchers in this role use quantum mechanics, molecular dynamics, and other computational methods to analyze molecular properties, reaction mechanisms, and materials behavior. They often work on interdisciplinary projects, collaborating with experimental chemists, physicists, and data scientists. The position typically requires expertise in coding, scientific software, and high-performance computing. Postdocs contribute to publications, grant proposals, and presentations while advancing their specialized research focus.

What does a postdoctoral research computational chemistry do?

As a Postdoctoral Researcher in Computational Chemistry, your days often involve setting up and running molecular simulations, analyzing large datasets, and developing or applying computational models to address chemical research questions. You might spend part of your time writing code, troubleshooting simulation issues, and visualizing results using specialized software. Collaborative work is common, including regular meetings with supervisors, experimentalists, or other computational scientists to design studies and interpret data. Presenting findings at lab meetings and contributing to scientific publications are also regular responsibilities. This dynamic workflow allows for both independent research and cross-disciplinary teamwork.

What are the key skills and qualifications needed for a postdoctoral research computational chemistry?

To thrive as a Postdoctoral Researcher in Computational Chemistry, you need an advanced degree (PhD) in chemistry, physics, or a related field, with expertise in computational modeling and quantum chemistry methods. Proficiency with software such as Gaussian, VASP, or GROMACS, and strong programming skills in languages like Python or C++, are typically important, along with experience in data analysis and simulation. Critical thinking, problem-solving abilities, and effective communication enhance collaboration and presentation of results in multidisciplinary environments. These skills ensure meaningful scientific contributions, accurate data interpretation, and successful teamwork in research-driven settings.

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Postdoctoral Research Computational Chemistry jobs near you
Infographic showing various Postdoctoral Research Computational Chemistry job openings in the United States as of August 2026, with employment types broken down into 1% Internship, 1% As Needed, 84% Full Time, 11% Part Time, 1% Temporary, and 2% Contract. Highlights an 84% Physical, 4% Hybrid, and 12% Remote job distribution, with an average salary of $85,959 per year, or $41.3 per hour.

Research Investigator, Computational Chemistry

Cogent Biosciences

Boulder, CO • On-site

$210K/yr

Full-time

Medical, Dental, Vision, Retirement, PTO

Re-posted 9 days ago

Job description

Who We Are:
Cogent Biosciences is a publicly traded biotechnology company focused on developing novel precision therapies to treat a broad range of patients with unmet medical needs. Cogent's lead program, bezuclastinib, is designed to selectively and potently inhibit exon 17 mutations found within the KIT receptor tyrosine kinase, including KIT D816V. KIT D816V is responsible for driving a rare and serious condition called Systemic Mastocytosis, and exon 17 mutations are also found in patients with gastrointestinal stromal tumors (GIST), a type of cancer with strong dependence on oncogenic KIT signaling. Bezuclastinib has exhibited promising initial data across all three trials: APEX in AdvSM, SUMMIT in NonAdvSM, and PEAK in GIST, including an encouraging safety profile across 600+ patients in single-agent and combination dosing.
The Role:
We are seeking an Experienced Computational Chemist who thrives at the intersection of molecular modeling, data-driven decision making, and innovative drug design. In this role, you will directly influence discovery programs by generating actionable structure-based insights, developing predictive models, and partnering with multidisciplinary teams to guide molecular design from hits to optimized leads. This is a full-time, on-site position based at our R&D facility in Boulder, Colorado.
Responsibilities:
  • Apply structure-based and ligand-based drug design methods-including docking, protein modeling, and a range of computational techniques-to support projects from hit discovery through lead optimization.
  • Collaborate with project team members, engaging them in iterative structure-based drug design cycles to generate hypotheses, evaluate targets, triage hits, and guide SAR exploration.
  • Present modeling insights clearly and effectively to cross-functional project teams, ensuring data is interpreted in the right context.
  • Develop, refine, and maintain robust computational workflows on HPC Linux environments, enabling scalable execution of large-scale simulations.
  • Train and mentor colleagues on computational chemistry tools, cheminformatics standards, data formats, and key workflow practices.

Qualifications:
  • Ph.D. in Computational Chemistry or a related field, with 10 years of relevant industrial experience.
  • Expertise in structure-based design, docking, virtual screening, pharmacophore modeling, and other computational approaches for lead optimization.
  • Expertise in MOE modeling software, with working knowledge of other commercial and open-source computational chemistry platforms preferred.
  • Strong hands-on experience with cheminformatics platforms and tools, including Spotfire.
  • Strong programming skills with experience in building custom scripts or automated pipelines, is a plus.
  • Proficiency in Linux/UNIX, shell scripting, and HPC frameworks (e.g., SLURM, LSF, PBS/Torque).
  • Experience optimizing large computational workloads on cluster or cloud infrastructure.
  • Familiarity with molecular representations and cheminformatics standards (SMILES, SDF, descriptors, fragment-based encodings).
  • A solid publication record and excellent scientific communication skills.
  • Proven effectiveness working within cross-functional, data-driven scientific teams.

Salary Range:
$180k - $210k USD
Target Bonus: 15%
Exact compensation will vary based on skills, experience, and location.
Our Locations
Waltham, MA: Our headquarters is located in the Greater Boston life sciences community, with an open, collaborative office environment designed to support teamwork and connection. Employees benefit from convenient on-site amenities, including free on-site parking and gym facilities in the building.
Boulder, CO: Our Boulder location is home to Cogent's discovery research organization and a key scientific hub with strong leadership based on site. Situated in the greater Denver-Boulder biopharmaceutical corridor, this office plays a central role in advancing our discovery efforts and pipeline.
Our Offer To You
At Cogent Biosciences, we offer a competitive salary, bonus, and ongoing stock awards, alongside a benefits package that sets us apart. We cover 100% of medical, dental, and vision premiums for you and your family, and help reduce out-of-pocket costs by funding up to 75% of in-network deductibles. Our benefits also include a 401(k) match with immediate vesting, generous paid time off, 12 weeks of fully paid parental leave, paid family and medical leave for all employees regardless of location, and company-paid short-term disability coverage for up to 20 weeks. Additional perks like wellness programs, tuition reimbursement, and inclusive family-forming support help you thrive at work and beyond.
We are proud to be an Equal Opportunity Employer. Our goal is to have a diverse workforce. We do not discriminate on the basis of race, age, color, religion, national origin, gender, sexual orientation, gender identity or expression, veteran status or disability, or any other status protected under federal, state, or local law. All employment is decided on the basis of qualifications, merit, and business need.

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