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Freelance Remote Computational Chemistry Jobs (NOW HIRING)

Utilize computational chemistry and mass spectrometry toolkits to model chemical properties ... Hybrid Work Environment with remote and onsite work flexibility based on program requirements ...

Approval of remote and hybrid work is not guaranteed regardless of work location.For additional ... of computational and theoretical chemistry. Research will involve the modeling of molecular ...

... such as computational chemistry, optimization, and machine learning * Work with customers and ... Remote, US Travel: 10% domestic and international travel supporting customer engagements and ...

... such as computational chemistry, optimization, and machine learning * Work with customers and ... Remote, US Travel: 10% domestic and international travel supporting customer engagements and ...

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How much do freelance remote computational chemistry jobs pay per hour?

As of Aug 24, 2026, the average hourly pay for freelance remote computational chemistry in the United States is $62.54, according to ZipRecruiter salary data. Most workers in this role earn between $60.34 and $68.27 per hour, depending on experience, location, and employer.
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Infographic showing various Freelance Remote Computational Chemistry job openings in the United States as of August 2026, with employment types broken down into 75% Full Time, and 25% Contract. Highlights an 100% Remote job distribution, with an average salary of $130,079 per year, or $62.5 per hour.

Computational Chemistry Expert - PhD

Mercor

San Francisco, CA • Remote

$70 - $100/hr

Full-time

Posted 12 days ago


Job description

About the job

Mercor connects elite creative and technical talent with leading AI research labs. Headquartered in San Francisco, our investors include Benchmark, General Catalyst, Peter Thiel, Adam D'Angelo, Larry Summers, and Jack Dorsey.

Position: Computational Chemistry & Electronic Structure Expert
Type: Contract
Compensation: $70–$100/hour
Location: Remote
Commitment: 15–20 hours/week

Role Responsibilities

  • Design challenging computational problems in Computational Chemistry & Electronic Structure using PySCF for quantum chemistry calculations.
  • Develop problems requiring strategic planning for AI to uncover hidden information through simulations and experiments.
  • Test and refine problems against state-of-the-art AI models to achieve target difficulty.
  • Collaborate with AI research teams to ensure problems align with real scientific workflows.
  • Work independently to create problems that challenge AI reasoning beyond surface-level pattern matching.

Qualifications

Must-Have

  • Graduate-level training in a relevant STEM field (MS, PhD, or equivalent research experience).
  • Proven proficiency with scientific software libraries through research publications or professional work.
  • Strong Python skills for writing problem setups and solution validators.
  • Ability to work independently and refine designs based on feedback.
  • Comfortable in a Linux/terminal environment with remote compute sandboxes.

Preferred

  • Experience across multiple domains or tools.
  • Familiarity with benchmark or evaluation design.
  • Background in scientific teaching or exam/problem-set design.
  • Experience with computational reproducibility and containerized environments.

Application Process (Takes 20–30 mins to complete)

  • Upload resume
  • AI interview based on your resume
  • Submit form

Resources & Support

  • For details about the interview process and platform information, please check: https://talent.docs.mercor.com/welcome
  • For any help or support, reach out to: support@mercor.com

PS: Our team reviews applications daily. Please complete your AI interview and application steps to be considered for this opportunity.