ZipRecruiter

Log In

2

Remote Computational Chemistry Jobs (NOW HIRING)

Weekday AI

Chemistry Research Collaborator (Part-time)

$80 - $110/hr

This is a remote, part-time engagement requiring up to 20 hours per week . Requirements Key ... Computational chemistry * Chemical literature analysis * Identify reasoning errors and scientific ...

New

Chemify Ltd

Staff CADD Scientist

San Francisco, CA · On-site +1

San Francisco (hybrid) or fully remote from Boston / San Diego Travel: Regular travel to our ... You will sit at the centre of a cross-disciplinary team - computational chemists, in-house and ...

Takeda

Director, AIRx Medicinal Chemistry

Boston, MA · On-site +1

$177K - $278K/yr

Partner closely with Computational Chemistry colleagues to close DMTA cycles rapidly; contribute to ... This position is currently classified as "hybrid" by Takeda's Hybrid and Remote Work policy Takeda ...

The Pennsylvania State University

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 ...

Takeda

Senior Director, AIRx Medicinal Chemistry

Boston, MA · On-site +1

$212K - $333K/yr

Partner closely with Computational Chemistry colleagues to close DMTA cycles rapidly; contribute to ... This position is currently classified as "hybrid" by Takeda's Hybrid and Remote Work policy Takeda ...

IonQ

Staff Scientist - Quantum Applications

$167K - $219K/yr

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

Mercor

Chemistry PhD - Safety Specialist

New York, NY · On-site +1

$65 - $70/hr

Remote Commitment: 15-40 hours/week Role Responsibilities * Write expert-level prompts across ... Deep familiarity with modern laboratory and computational techniques in your subfield. * Strong ...

Structure Therapeutics

Dietitian

South San Francisco, CA · On-site +1

$90K - $120K/yr

... computational chemistry, and data integration to design orally available, superior small molecule ... If applicant is remote, travel will be approximately 40%. Structure Therapeutics Inc. is an Equal ...

next page

Showing results 1-20

All JobsComputational Chemistry JobsRemote Computational Chemistry Jobs

Remote Computational Chemistry information

See salary details

$13

$22

$32

How much do remote computational chemistry jobs pay per hour?

As of Jul 30, 2026, the average hourly pay for remote computational chemistry in the United States is $22.26, according to ZipRecruiter salary data. Most workers in this role earn between $18.27 and $24.52 per hour, depending on experience, location, and employer.

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

To thrive as a Remote Computational Chemistry professional, a strong background in chemistry, physics, and computational science is required, typically supported by a relevant advanced degree (such as a master's or PhD). Familiarity with molecular modeling software (e.g., Gaussian, Schrödinger, AMBER) and coding languages like Python or C++ are essential, and experience using high-performance computing environments is highly valuable. Effective communication, time management, and independent problem-solving skills distinguish successful remote practitioners. Mastery of these areas ensures accurate research output, effective collaboration with interdisciplinary teams, and the ability to meet project deadlines while working remotely.

What is a Remote Computational Chemistry job?

A Remote Computational Chemistry job involves using computer simulations and theoretical models to study chemical systems and predict molecular behavior, all while working from a remote location. Scientists in this role apply quantum mechanics, molecular dynamics, and other computational techniques to design new materials, optimize drug candidates, or analyze chemical reactions. These positions are common in pharmaceuticals, materials science, and academia, often requiring expertise in chemistry, programming, and data analysis. Remote positions enable collaboration with teams worldwide using cloud computing and specialized software.

What does a typical workday look like for a Remote Computational Chemistry professional?

A typical day for a Remote Computational Chemistry professional often involves running molecular simulations, analyzing computational data, and collaborating with research scientists or project teams through virtual meetings. You may spend time setting up experiments using specialized software, troubleshooting code, or writing research reports and documentation. Communication is typically asynchronous, with regular updates shared via email or project management tools. Team members are often spread across different time zones, so strong self-motivation and proactive communication are key. The work is both analytical and creative, requiring a blend of technical expertise and collaborative problem-solving.

More about Remote Computational Chemistry jobs
What cities are hiring for Remote Computational Chemistry jobs? Cities with the most Remote Computational Chemistry job openings:
What are the most commonly searched types of Computational Chemistry jobs? The most popular types of Computational Chemistry jobs are:
What states have the most Remote Computational Chemistry jobs? States with the most job openings for Remote Computational Chemistry jobs include:
What job categories do people searching Remote Computational Chemistry jobs look for? The top searched job categories for Remote Computational Chemistry jobs are:
Remote Computational Chemistry jobs near you
Infographic showing various Remote Computational Chemistry job openings in the United States as of July 2026, with employment types broken down into 75% Full Time, and 25% Contract. Highlights an 100% Remote job distribution, with an average salary of $46,292 per year, or $22.3 per hour.

Chemist with Python Proficiency - AI Trainer

Kake Group

Austin, TX • Remote

$51.50 - $71/hr

Contractor

Re-posted 12 days ago

Job description

We're building a talent pool of Chemistry professionals with Python proficiency to contribute to project-based AI development initiatives, focused on evaluating and enhancing frontier AI models.

Designed for chemistry specialists who enjoy deep technical problem-solving, this pipeline role is for those looking to apply their computational expertise to evaluate and push the boundaries of frontier AI models, relying on domain-specific tools such as GROMACS, PySCF, ORCA, Quantum ESPRESSO, or AutoDock Vina, with verifiable, code-graded answers run inside isolated Linux environments.

Key Responsibilities

  • Identify an appropriate computational chemistry package and build problems whose solution genuinely hinges on that tool's core capabilities, whether force fields, integrators, electronic-structure methods, basis sets, or pseudopotential workflows.
  • Develop full Python solutions for each problem, providing all necessary input files, molecular geometries, and crystal structure definitions as required.
  • Establish the correct numerical output and define how close the AI model needs to get, using tolerance values appropriate to the chemical context.
  • Run the problem against the AI model across multiple parallel attempts, analyzing where it succeeds or falls short, and adjusting difficulty until the pass rate falls between 10% and 30%.
  • Tune molecular geometries, basis sets, and convergence thresholds iteratively, building an understanding of how the model navigates complex simulation environments.
  • Hand off completed tasks to a senior reviewer in your subfield and refine based on their feedback before final submission.

Core Requirements

  • Academic background in Chemistry or a closely related field.
  • At least 2 years of hands-on experience in chemistry research, applied work, or teaching.
  • Solid Python skills, applied to writing and validating computational solutions.
  • Capacity to build problems that cannot be solved without specialized computational chemistry software.
  • Excellent written and verbal communication skills in English.
  • Ability to work independently in a remote, fast-paced environment.

Nice-to-Have

  • Working knowledge of one or more domain-specific computational chemistry tools, including but not limited to GROMACS, LAMMPS, PySCF, ORCA, xtb, CREST, Quantum ESPRESSO, phonopy, pymatgen, AutoDock Vina, or GNINA, or a demonstrated ability to get up to speed independently.
  • Prior exposure to how frontier AI models approach complex simulation tasks.
  • Knowledge spanning more than one chemistry domain, such as molecular dynamics, quantum chemistry, or molecular docking.
  • Familiarity with containerized or sandboxed Linux execution environments.

Please Note: Due to the high volume of applications, only shortlisted candidates will be contacted.

We may use artificial intelligence (AI) tools to support parts of the hiring process, such as reviewing applications, analyzing resumes, or assessing responses and identifying potential inconsistencies or verification signals in application materials based on available information. These tools assist our recruitment team but do not replace human judgment. Final hiring decisions are ultimately made by humans. If you would like more information about how your data is processed, please contact us.