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Scientific Computing Software Developer Jobs (NOW HIRING)

Aquila Technology

Software Developer

Lexington, MA

Software Developer Clearance Level: Must be able to obtain a Active Secret Clearance - Must be a US ... Scientific computing and data analysis * Lua Desired Skills: * Audio, video, and image processing

Cymertek

HPC Software Architect

Chantilly, VA · Hybrid

HPC Software Architect LOCATION Chantilly, VA 20151 CLEARANCE TS/SCI Full Poly (Please note this ... Scientific Computing Architect, Performance Engineering Architect, GPU Computing Architect ...

Cymertek

HPC Software Architect

Honolulu, HI · Hybrid

HPC Software Architect LOCATIONHonolulu, HI 96815 CLEARANCETS/SCI Full Poly (Please note this ... Scientific Computing Architect, Performance Engineering Architect, GPU Computing Architect ...

Cymertek

HPC Software Architect

Vienna, VA · Hybrid

HPC Software Architect LOCATION Tysons, VA 22182 CLEARANCE TS/SCI Full Poly (Please note this ... Scientific Computing Architect, Performance Engineering Architect, GPU Computing Architect ...

Cymertek

HPC Software Architect

Tysons, VA · On-site

HPC Software Architect LOCATION Tysons, VA 22182 CLEARANCE TS/SCI Full Poly (Please note this ... Scientific Computing Architect, Performance Engineering Architect, GPU Computing Architect ...

Cymertek

HPC Software Architect

Chantilly, VA · Hybrid

HPC Software Architect LOCATIONChantilly, VA 20151 CLEARANCETS/SCI Full Poly (Please note this ... Scientific Computing Architect, Performance Engineering Architect, GPU Computing Architect ...

Cymertek

HPC Software Architect

Reston, VA · Hybrid

HPC Software Architect LOCATIONReston, VA 20190 CLEARANCETS/SCI Full Poly (Please note this ... Scientific Computing Architect, Performance Engineering Architect, GPU Computing Architect ...

Cymertek

HPC Software Architect

Reston, VA · Hybrid

HPC Software Architect LOCATION Reston, VA 20190 CLEARANCE TS/SCI Full Poly (Please note this ... Scientific Computing Architect, Performance Engineering Architect, GPU Computing Architect ...

Cymertek

HPC Software Architect

Tysons, VA · Hybrid

HPC Software Architect LOCATIONTysons, VA 22182 CLEARANCETS/SCI Full Poly (Please note this ... Scientific Computing Architect, Performance Engineering Architect, GPU Computing Architect ...

Cymertek

HPC Software Architect

Aurora, CO · Hybrid

HPC Software Architect LOCATIONAurora, CO 80014 CLEARANCETS/SCI Full Poly (Please note this ... Scientific Computing Architect, Performance Engineering Architect, GPU Computing Architect ...

Cymertek

HPC Software Architect

Reston, VA · On-site

HPC Software Architect LOCATION Reston, VA 20190 CLEARANCE TS/SCI Full Poly (Please note this ... Scientific Computing Architect, Performance Engineering Architect, GPU Computing Architect ...

Cymertek

HPC Software Architect

Aurora, CO · On-site

HPC Software Architect LOCATION Aurora, CO 80014 CLEARANCE TS/SCI Full Poly (Please note this ... Scientific Computing Architect, Performance Engineering Architect, GPU Computing Architect ...

Cymertek

HPC Software Architect

Honolulu, HI · Hybrid

HPC Software Architect LOCATION Honolulu, HI 96815 CLEARANCE TS/SCI Full Poly (Please note this ... Scientific Computing Architect, Performance Engineering Architect, GPU Computing Architect ...

Cymertek

HPC Software Architect

San Antonio, TX · Hybrid

HPC Software Architect LOCATIONSan Antonio, TX 78208 CLEARANCETS/SCI Full Poly (Please note this ... Scientific Computing Architect, Performance Engineering Architect, GPU Computing Architect ...

Cymertek

HPC Software Architect

Chantilly, VA · On-site

HPC Software Architect LOCATION Chantilly, VA 20151 CLEARANCE TS/SCI Full Poly (Please note this ... Scientific Computing Architect, Performance Engineering Architect, GPU Computing Architect ...

Cymertek

HPC Software Architect

Honolulu, HI · On-site

HPC Software Architect LOCATION Honolulu, HI 96815 CLEARANCE TS/SCI Full Poly (Please note this ... Scientific Computing Architect, Performance Engineering Architect, GPU Computing Architect ...

Cymertek

HPC Software Architect

San Antonio, TX · On-site

HPC Software Architect LOCATION San Antonio, TX 78208 CLEARANCE TS/SCI Full Poly (Please note this ... Scientific Computing Architect, Performance Engineering Architect, GPU Computing Architect ...

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Scientific Computing Software Developer information

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How much do scientific computing software developer jobs pay per year?

As of Jun 3, 2026, the average yearly pay for scientific computing software developer in the United States is $102,500.00, according to ZipRecruiter salary data. Most workers in this role earn between $90,000.00 and $115,000.00 per year, depending on experience, location, and employer.

What are the key skills and qualifications needed to thrive as a Scientific Computing Software Developer, and why are they important?

To thrive as a Scientific Computing Software Developer, you need strong programming skills in languages like Python, C++, or Fortran, along with a background in mathematics, physics, or engineering. Familiarity with scientific libraries (e.g., NumPy, SciPy), high-performance computing systems, and version control tools such as Git is typically required. Analytical thinking, problem-solving, and effective collaboration are crucial soft skills that set exceptional developers apart. These competencies are essential for developing reliable, efficient software that supports complex scientific research and multidisciplinary teamwork.

What are some common challenges faced by Scientific Computing Software Developers when integrating code with research teams?

Scientific Computing Software Developers often collaborate closely with research teams, and a common challenge is translating complex scientific requirements into efficient, maintainable code. Researchers may use diverse programming languages and have different coding standards, which can lead to integration issues. Additionally, balancing the need for high computational performance with code readability and reproducibility is crucial. Effective communication and a strong understanding of both scientific concepts and software engineering practices help overcome these challenges.

What is a Scientific Computing Software Developer?

A Scientific Computing Software Developer is a professional who designs, develops, and maintains software applications used for scientific research and data analysis. They work closely with scientists, engineers, and researchers to create tools that enable complex simulations, modeling, and data processing in fields such as physics, biology, chemistry, and engineering. These developers often use programming languages like Python, C++, or Fortran, and may optimize code for high-performance computing environments. Their work is essential for advancing scientific discovery and innovation.

What is the difference between Scientific Computing Software Developer vs Data Scientist?

AspectScientific Computing Software DeveloperData Scientist
Required CredentialsBachelor's or Master's in Computer Science, Applied Math, or related fieldsBachelor's or Master's in Data Science, Statistics, or related fields
Work EnvironmentResearch labs, academia, scientific organizations, tech companiesBusiness, finance, healthcare, tech firms, research institutions
Employer & Industry UsageFocus on developing simulation, modeling, and computational toolsFocus on analyzing data, building predictive models, and deriving insights

While both roles require strong programming skills and a background in science or math, Scientific Computing Software Developers primarily create computational tools for scientific research, whereas Data Scientists analyze data to inform business decisions. The roles often overlap in skills but differ in application focus and industry context.

Scientific Software Developer - Affinity

Scientific Software Developer - Affinity

OpenEye Scientific

Santa Fe, NM • On-site

Full-time

Medical, Dental, Vision, Retirement, PTO

Posted 3 days ago

Job description

Over the last eight years, OpenEye Scientific has developed the field's most advanced large-scale compute platform, Orion, built on Amazon Web Services. In this position, you will be working at the cutting edge of cloud computing, C++/Python development, and advanced MD simulation techniques. Your work will have the potential to make a major impact in drug discovery, and will be available to many pharmaceutical and biotech companies.
OpenEye, Cadence Molecular Sciences, an industry leader in computational molecular design, uses a scientific approach to deliver rapid, robust, and scalable software, toolkits, and technology & design services for the advancement of pharmaceuticals, biologics, agrochemicals, and flavors and fragrances. We are passionate about science and about taking care of our team members, with leaders supporting your development and recognizing your contributions by providing an unmatched total compensation package in a collaborative, caring, energetic and fun work environment.
The Affinity Group at OpenEye seeks to hire a scientific software developer to join a growing team delivering Molecular Dynamics (MD) based solutions for predicting protein-ligand binding affinities. Within OpenEye's Cloud-based platform Orion, our team has already delivered to our clients massively parallel Relative Binding Free Energy (RBFE) tools capable of calculating affinities on dozens of ligands in only hours, using hundreds of GPUs. We are also developing faster, higher throughput MD-based prescreening approaches to use upstream of the heavier free energy methods. With your experience in MD and programming, you will help us to extend our capabilities in this area, making both our science and our tools better: more robust, more accurate, and more efficient. The work you do will have a high impact, contributing to the science of many organizations, both industry-based and academic. In this you will be collaborating with experienced scientific developers with expertise in small molecule drug discovery and long track records of delivering useful solutions and liaising with academic collaborators in the simulations community.
Please include a cover letter.
What you should have:
  • PhD. with PostDoc in an area related to structure-based ligand design methods.
  • 3 or more years of experience in scientific programming with Python.
  • 3 or more years of experience with Molecular Dynamics including Free Energy Calculations.
  • Experience in computational chemistry methods development, implementation, and validation
  • Team-oriented with good communication skills and professional scientific presentation skills.
  • Ability and desire to learn new ideas and adapt to new development practices

The following are a PLUS, but not required:
  • Knowledge & skill in programming and professional software development practices & tools
  • Experience with a multi platform and/or distributed computing environment including cloud computing.
  • Knowledge of chemistry and/or drug discovery & development

Benefits:
OpenEye is passionate about the welfare of its employees and offers competitive benefits that include medical, dental, vision, flexible working schedule, 401k retirement plans, paid vacation, paid sick leave, home internet costs, public transportation reimbursement, and much more.
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