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Computational Chemistry Software Developer Jobs in Arizona

Rubin Obs

Principal Software Architect

Tucson, AZ · On-site

$150 - $200/hr

Working closely with scientists, software engineers, data specialists, and operations teams, you ... large-scale computational environments. * Experience designing data pipelines, workflow ...

Prattwhitney

Principal Propellant Chemist

Tucson, AZ · On-site

$100 - $125/hr

Understanding of polymer chemistry. * Understanding of systems engineering. * Understanding of ... Knowledge of data analysis, modeling, simulation, statistics, and computational techniques for ...

Raytheon

Principal Propellant Chemist

Tucson, AZ · On-site

Understanding of Polymer Chemistry * Understanding of Systems Engineering * Understanding of ... Knowledge of data analysis, modeling and simulation, statistics, and various computational ...

Raytheon

Principal Propellant Chemist

Phoenix, AZ

Understanding of Polymer Chemistry * Understanding of Systems Engineering * Understanding of ... Knowledge of data analysis, modeling and simulation, statistics, and various computational ...

Raytheon

Principal Propellant Chemist

Tucson, AZ

Understanding of Polymer Chemistry * Understanding of Systems Engineering * Understanding of ... Knowledge of data analysis, modeling and simulation, statistics, and various computational ...

Stryker

$35/hr

Currently pursuing a Bachelor's or Master's degree in a scientific or technical discipline (e.g., Biomedical Engineering, Biological Sciences, Chemistry, Software Engineering, or related fields) and ...

Stryker

$35/hr

Currently pursuing a Bachelor's or Master's degree in a scientific or technical discipline (e.g., Biomedical Engineering, Biological Sciences, Chemistry, Software Engineering, or related fields) and ...

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Computational Chemistry Software Developer information

What is a computational chemistry software developer?

Computational Chemistry Software Developers are professionals who design, build, and maintain software tools used for modeling and simulating chemical systems. They combine expertise in chemistry, computer science, and mathematics to create programs that help researchers understand molecular structures, reactions, and properties. These developers work closely with scientists to implement algorithms, optimize code performance, and ensure software usability for various computational chemistry applications. Their work supports advancements in fields like drug discovery, materials science, and chemical engineering.

What are the key skills and qualifications needed to thrive as a computational chemistry software developer?

To thrive as a Computational Chemistry Software Developer, you need a strong background in computational chemistry, programming (particularly in languages like Python, C++, or Fortran), and a relevant degree in chemistry, physics, or computer science. Familiarity with molecular modeling packages, high-performance computing environments, and version control systems such as Git is typically required. Critical thinking, teamwork, and effective communication are crucial soft skills for collaborating with interdisciplinary teams and translating scientific requirements into robust software solutions. These skills and qualifications are vital for developing reliable, efficient software tools that advance chemical research and innovation.

What are some common challenges faced by computational chemistry software developers when integrating new algorithms into existing software platforms?

Computational Chemistry Software Developers often encounter challenges when integrating new algorithms, such as ensuring compatibility with legacy code, maintaining software performance, and validating scientific accuracy. Balancing the need for cutting-edge features with stability and user-friendliness can be complex, especially in collaborative, multidisciplinary teams. Regular communication with chemists and end-users is crucial to understand requirements and to troubleshoot issues that may arise during implementation.

What is the difference between Computational Chemistry Software Developer vs Computational Chemist?

AspectComputational Chemistry Software DeveloperComputational Chemist
Required CredentialsBachelor's or Master's in Chemistry, Computer Science, or related fieldBachelor's or Master's in Chemistry, Chemical Engineering, or related field
Work EnvironmentSoftware development teams, research labs, tech companiesResearch labs, academic institutions, pharmaceutical companies
Employer & Industry UsageTech firms, software companies, scientific research organizationsPharmaceuticals, academia, chemical industries
Common Search & ComparisonYesYes

While both roles involve chemistry and computational skills, Computational Chemistry Software Developers focus on creating and maintaining software tools used by chemists, whereas Computational Chemists primarily conduct research and simulations to understand chemical phenomena. The roles often overlap in skills but differ in daily tasks and focus areas.

What are popular job titles related to Computational Chemistry Software Developer jobs in Arizona?

For Computational Chemistry Software Developer jobs in Arizona, the most frequently searched job titles are:

What job categories do people searching Computational Chemistry Software Developer jobs in Arizona look for?

The top searched job categories for Computational Chemistry Software Developer jobs in Arizona are:

What cities in Arizona are hiring for Computational Chemistry Software Developer jobs?

Cities in Arizona with the most Computational Chemistry Software Developer job openings:

Computational Chemistry Software Developer jobs near you
Infographic showing various Computational Chemistry Software Developer job openings in Arizona as of June 2026, with employment types broken down into 50% Full Time, 42% Part Time, 2% Temporary, and 6% Contract. Highlights an 74% Physical, 1% Hybrid, and 25% Remote job distribution.

Principal Software Architect

Association Of Universities For Research In Astronomy

Tucson, AZ • On-site

Full-time

Retirement, PTO

Re-posted 16 days ago

Job description

NOIRLab is seeking a visionary Principal Software Architect to lead the architectural strategy and technical evolution of software systems that power world-class astronomical research, observatory operations, and scientific data management.

In this highly influential leadership role, you will define the technology roadmap for a diverse portfolio of scientific and operational platforms spanning cloud computing, distributed systems, high-performance computing (HPC), data-intensive applications, and AI-enabled technologies. You will drive modernization efforts that advance scientific discovery, improve engineering productivity, and ensure the reliability and scalability of mission-critical systems supporting some of the world's most advanced astronomical facilities.

Working closely with scientists, software engineers, data specialists, and operations teams, you will provide hands-on technical leadership, translate complex scientific requirements into innovative software solutions, and establish architectural standards that enable long-term sustainability and growth.

This is a unique opportunity to shape the future of scientific software and enable transformational discoveries through technology.

Essential FunctionsArchitectural Leadership & Technology Strategy
  • Define and execute the architectural vision, technology roadmap, and long-term strategy for NOIRLab's scientific and operational software ecosystem.
  • Establish enterprise-scale architecture principles, engineering standards, governance processes, and best practices.
  • Lead architectural reviews and guide critical technology decisions across software, data, infrastructure, and operational domains.
  • Partner with scientific and engineering stakeholders to translate complex requirements into scalable, secure, and resilient solutions.
  • Identify and address architectural risks, technical debt, and modernization opportunities across the software portfolio.
  • Champion modernization initiatives that improve system scalability, reliability, maintainability, and operational efficiency while supporting uninterrupted scientific operations.
System Design & Engineering Excellence
  • Architect and evolve cloud-native, containerized, distributed, and HPC-based platforms supporting observatory operations, scientific data pipelines, user services, and large-scale data processing systems.
  • Design solutions capable of managing petabyte-scale datasets and computationally intensive scientific workloads.
  • Develop reference architectures, prototypes, and technical frameworks that accelerate solution delivery and consistency across teams.
  • Drive adoption of DevSecOps practices, Infrastructure as Code (IaC), CI/CD pipelines, automated testing, observability, and site reliability engineering principles.
  • Participate in architecture reviews, design reviews, code reviews, and implementation of critical software components.
Innovation & Technical Enablement
  • Evaluate and adopt emerging technologies, including artificial intelligence (AI), machine learning (ML), generative AI, and large language model (LLM) solutions, where they deliver measurable scientific, engineering, or operational value.
  • Serve as a trusted technical mentor and thought leader across engineering teams.
  • Foster collaboration, knowledge sharing, and architectural consistency across science, software, data, and operations organizations.
  • Help advance software engineering practices that support innovation, quality, and long-term sustainability.
Additional Responsibilities
  • Perform other duties as assigned.
  • Ensure compliance with AURA property management requirements and organizational policies.
  • Support compliance with applicable government award terms and conditions as defined in organizational award management systems.
Requirements
Education & Experience
  • Bachelor's or Master's degree in Computer Science, Software Engineering, Computer Engineering, or a related technical field; equivalent professional experience will be considered.
  • 15+ years of progressive software engineering experience, including experience as a Software Architect, Principal Engineer, Distinguished Engineer, or similar technical leadership role.
  • Demonstrated success designing, delivering, and evolving large-scale distributed and data-intensive software systems.
Technical Expertise
  • Deep expertise in software architecture, system design, API design, scalability, resilience, reliability, and distributed systems.
  • Experience designing and operating cloud-native, containerized, microservices-based applications and platforms.
  • Strong background in multiple programming languages and modern software development methodologies.
  • Experience building and managing platforms that process and store petabyte-scale data.
  • Experience with scientific computing, high-performance computing (HPC), distributed computing, or large-scale computational environments.
  • Experience designing data pipelines, workflow orchestration systems, and data-intensive platforms.
  • Knowledge of event-driven architectures, messaging systems, and asynchronous processing patterns.
  • Experience with DevSecOps, CI/CD, Infrastructure as Code, monitoring, observability, and software delivery automation.
  • Understanding of secure software development practices, including authentication, authorization, and data protection.
  • Experience evaluating, integrating, or leveraging AI/ML, generative AI, or LLM-powered capabilities within software platforms or engineering workflows.
Leadership Skills
  • Exceptional communication and collaboration skills, with the ability to work effectively across scientific, engineering, and operational organizations.
  • Demonstrated ability to influence technical direction, mentor engineers, and lead through architectural expertise rather than direct authority.
  • Proven hands-on leadership experience through architecture design, prototyping, technical guidance, and code reviews.
Preferred Qualifications
  • Experience developing software for scientific, research, or data-intensive environments.
  • Experience supporting scientific instrumentation, observatory operations, or large-scale scientific data pipelines.
  • Experience contributing to or leading open-source software projects.
  • Experience working in astronomy, astrophysics, earth sciences, national laboratories, research institutions, or other mission-driven scientific organizations.
Work Environment

This position operates in a professional office environment and routinely utilizes standard office equipment, including computers, phones, and copiers. The work environment is generally quiet and may involve working in close proximity to others, depending on the needs of the specific function

The physical demands described here are representative of those that must be met by an employee to successfully perform the essential functions of this job. Reasonable accommodations may be made to enable individuals with disabilities to perform the essential functions.

  • Must be able to remain in a stationary position at least 50% of the time.

  • Occasional need to move about inside the office environment to access files, office tools, attendance in a meeting room, etc.

  • Constantly operates a computer and other office productivity tools that require fine motor skills, such as a calculator, copy machine, computer printer, etc.

  • May occasionally need to position self to maintain computer and related tools.

  • Seldomly needed to move objects up to 10 pounds.

  • Constant communication with other individuals. Must be able to discern and exchange information as appropriate to the situation.

  • Constant need to distinguish, discern, and identify a variety of objects and fine details with accuracy.

  • Occasional work at high elevation summit sites may be required (summit elevations range from 6,800 feet to 14,000 feet) 

The above statements are intended to describe the general nature and level of work being performed by individuals assigned to this position. They are not intended to be an exhaustive list of all duties, responsibilities and skills required by personnel so classified. This Institute promotes Equal Employment Opportunity workplace that includes reasonable accommodations to otherwise qualified, disabled applicants and employees.

Salary Range: $155,673 – $189,559 per year. The final salary will depend on skills, qualifications and experience.

AURA offers an excellent benefits package including paid time off and retirement plan contributions, competitive salary commensurate with experience, and a very attractive work environment. Details on benefits can be found at Benefits by Location - Aura Human Resources

This position will remain open until it is filled. Please submit a cover letter and a CV or resume, PDF files preferred. Please name any attachments with the following format: LastName DocName.

Individuals needing assistance with the employment process can request assistance here.

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