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Remote Molecular Simulation Jobs in Austin, TX (NOW HIRING)

NextSilicon

HPC Field Applications Engineer

Austin, TX · On-site +1

Location : Hybrid in either our Austin, TX or Minneapolis, MN offices preferred but Remote ... molecular dynamics, high-energy or astro physics, quantum chemistry, weather/climate simulations ...

All JobsMolecular Simulation JobsRemote Molecular Simulation JobsRemote Molecular Simulation Jobs in Austin, TX

Remote Molecular Simulation information

What is a remote molecular simulation?

A Remote Molecular Simulation job involves using specialized software and computational techniques to model and analyze the behavior of molecules from a remote location. Professionals in this field simulate molecular interactions to study chemical, biological, or physical processes, often for research or product development. These roles are typically found in industries such as pharmaceuticals, materials science, and biotechnology, and require strong backgrounds in chemistry, physics, and computer science. Remote positions allow scientists to collaborate with teams and access powerful computing resources from anywhere, using cloud platforms and secure data connections.

What are the key skills and qualifications needed to thrive as a remote molecular simulation specialist?

To excel as a Remote Molecular Simulation Specialist, you need a strong background in chemistry, physics, or a related field, often with an advanced degree and experience in computational modeling. Familiarity with simulation software like GROMACS, AMBER, or CHARMM, and proficiency in programming languages such as Python or C++, are typically required. Strong analytical thinking, problem-solving abilities, and effective communication are essential soft skills. These competencies are vital for accurately modeling molecular systems, interpreting complex data, and collaborating with multidisciplinary teams remotely.

What are some typical challenges faced when working in remote molecular simulation roles, and how can they be addressed?

Professionals in remote molecular simulation often face challenges such as managing large datasets, ensuring reliable access to high-performance computing resources, and effective collaboration with geographically dispersed teams. To address these, it's essential to be proficient with cloud-based simulation platforms, practice clear and regular communication, and utilize collaborative tools like version control systems and project management software. Staying updated on best practices in computational chemistry and investing in a stable internet connection can also help overcome these hurdles.

What is the difference between Remote Molecular Simulation vs Remote Computational Chemist?

AspectRemote Molecular SimulationRemote Computational Chemist
Required CredentialsDegree in Chemistry, Physics, or related field; experience with simulation softwareDegree in Chemistry, Chemical Engineering, or related; strong computational skills
Work EnvironmentResearch labs, academic institutions, or industry R&D teamsPharmaceutical companies, biotech firms, or research institutions
Industry UsagePrimarily in scientific research, academia, and industry R&DDrug discovery, materials science, and chemical research
Common Search/ComparisonYesYes

Remote Molecular Simulation focuses on modeling molecular interactions and behaviors using specialized software, often in research or academic settings. Remote Computational Chemist applies similar skills but may encompass broader chemical problem-solving, including data analysis and experimental design. Both roles require strong scientific backgrounds and computational expertise, but their specific applications and industry focus differ slightly.

What are popular job titles related to Remote Molecular Simulation jobs in Austin, TX?

For Remote Molecular Simulation jobs in Austin, TX, the most frequently searched job titles are:

What job categories do people searching Remote Molecular Simulation jobs in Austin, TX look for?

The top searched job categories for Remote Molecular Simulation jobs in Austin, TX are:

Remote Molecular Simulation jobs near you
Infographic showing various Remote Molecular Simulation job openings in Austin, TX as of July 2026, with employment types broken down into 84% Full Time, 13% Part Time, and 3% Contract. Highlights an 85% Physical, 4% Hybrid, and 11% Remote job distribution.

Chemist with Python Proficiency - AI Trainer

Kake Group

Austin, TX • Remote

$51.50 - $71/hr

Contractor

Re-posted 6 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.