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Computational Chemistry Software Developer Jobs in Raleigh, NC

Postdoctoral

Chapel Hill, NC

$41K - $56K/yr

Interested in recruiting a postdoctoral fellow in computational chemical genomics. The project ... chemists, and data scientists. The ideal candidate will have significant expertise in ...

Research Engineer

Raleigh, NC · On-site

  • Medical

  • Dental

  • Vision

  • Life

  • Retirement

  • PTO

Computational Modeling and Simulation: Formulate and execute reactor core and system simulations ... Knowledge of analytical chemistry, chemical safety and hygiene, and/or radiochemistry are ...

Research Engineer

Raleigh, NC

  • Medical

  • Dental

  • Vision

  • Life

  • Retirement

  • PTO

Computational Modeling and Simulation: Formulate and execute reactor core and system simulations ... Knowledge of analytical chemistry, chemical safety and hygiene, and/or radiochemistry are ...

Required Qualifications * Bachelors of Science in Chemistry or related field * 2-3 years of ... Proficiency in the use of computer software (MS Office, Statistical analysis, etc.) * Strong ...

Bioinformatics Scientist

Durham, NC · On-site +1

  • Medical

  • Dental

  • Vision

  • Life

  • Retirement

... bioinformatics programming, and computational biology support. This position is a full-time ... Use commercial software, freeware, custom-developed solutions, and high-performance computing ...

Showing results 41-60

Computational Chemistry Software Developer information

See Raleigh, NC salary details

$46.7K

$108.7K

$161.4K

How much do computational chemistry software developer jobs pay per year?

As of Aug 15, 2026, the average yearly pay for computational chemistry software developer in Raleigh, NC is $108,723.00, according to ZipRecruiter salary data. Most workers in this role earn between $87,500.00 and $126,400.00 per year, depending on experience, location, and employer.

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 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 are popular job titles related to Computational Chemistry Software Developer jobs in Raleigh, NC?

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

What job categories do people searching Computational Chemistry Software Developer jobs in Raleigh, NC look for?

The top searched job categories for Computational Chemistry Software Developer jobs in Raleigh, NC are:

What cities near Raleigh, NC are hiring for Computational Chemistry Software Developer jobs?

Cities near Raleigh, NC with the most Computational Chemistry Software Developer job openings:

Engineering Manager, AI Developer Technology

Nvidia

Durham, NC • Hybrid

Full-time

Re-posted 8 days ago


Nvidia rating

9.6

Company rating: 9.6 out of 10

Based on 17 frontline employees who took The Breakroom Quiz

7th of 244 rated software companies


Job description

We are now looking for an AI Developer Technology Engineering Manager:

Join our global Developer Technology (DevTech) team at NVIDIA, where we drive innovation and enhance the value of our platforms for developers. As a key member of our AI DevTech team, you'll lead a team of highly skilled engineers accelerating end-to-end performance of real-world Deep Learning and Machine Learning applications and developing novel algorithms to optimally leverage Nvidia hardware. Application examples are Large Language Models (LLMs), Computer Vision, Speech, Recommender Systems, and Multimodal architectures. As a Developer Technology Manager, you'll define and lead strategic technical initiatives, setting short- and long-term goals for your team. You'll work closely with customers as well as NVIDIA Research, hardware, and software teams to drive innovation and advance the state-of-the-art in accelerated Deep Learning and Machine Learning. Your team will focus on optimizing performance of complex parallel algorithms and workloads on NVIDIA platforms, including GPU, CPU, and interconnects.

What you'll be doing:

  • Lead your team to optimize and develop algorithms for Machine Learning and Deep Learning applications

  • Define and drive technical initiatives to advance the state-of-the-art in accelerated Deep Learning and Machine Learning applications

  • Collaborate with research, hardware, and software teams to influence the design of next-generation hardware, software, and programming models

  • Develop and communicate technical solutions to external and internal collaborators, including technical design decisions and project plans

  • Hire the best talent to join your team, promoting a diverse and skilled team that can tackle complex technical challenges

  • Coach and grow your team, promoting a culture of engineering excellence and idea proliferation

What we need to see:

  • An MS or PhD in Computer Science, Computer Engineering, or in a related computationally focused science or engineering degree (or equivalent experience).

  • 8+ overall years of relevant experience with 5+ years in a technical role and 3+ years of experience in an engineering leadership role.

  • In-depth expertise in linear algebra and performance optimization of Deep Learning training and inference

  • Background in parallel programming, e.g., CUDA, OpenMP, MPI, pthreads, etc.

  • Programming fluency in C/C++ with a deep understanding of algorithms and software development.

  • Knowledge of CPU and GPU architecture fundamentals and low-level performance optimizations

  • Excellent written and presentation skills.

  • Proven track record of planning and leading critical initiatives.

Ways to stand out from the crowd:

  • A PhD in a relevant field

  • Expertise in LLMs, multimodal model architecture and performance optimizations of relevant computational primitives

  • Proven experience with recruiting top talent.

What's DevTech?

We are a global organization whose mission is to drive innovation we see in the market towards our products. As recognized specialists across many domains, our work makes valuable contributions in two important ways. Our solutions are at the forefront of technology, advancing NVIDIA's leadership in accelerated computing. Our discoveries generate learnings that benefit the Developer Community and provides guidance to help make our products better.NVIDIA's success in the advancement and availability of Artificial Intelligence has created incredible growth across the Company, and Developer Technology Engineering has been steadily growing to meet the demands for our services. We now have need for a leader to join and help continue our momentum.

NVIDIA is widely considered to be one of the technology world's most desirable employers with some of the most forward-thinking and hardworking people in the world working here. If you love building and mentoring a team and are highly technical and enthusiastic about Deep Learning and GPU accelerated AI performance optimizations, we want to hear from you!

#LI-Hybrid

Your base salary will be determined based on your location, experience, and the pay of employees in similar positions. The base salary range is 224,000 USD - 356,500 USD.

You will also be eligible for equity and benefits.

Applications for this job will be accepted at least until August 9, 2026.

This posting is for an existing vacancy.

NVIDIA uses AI tools in its recruiting processes.

NVIDIA is committed to fostering an inclusive work environment and proud to be an equal opportunity employer. As we highly value diversity in our current and future employees, we do not discriminate (including in our hiring and promotion practices) on the basis of race, religion, color, national origin, gender, gender expression, sexual orientation, age, marital status, veteran status, disability status or any other characteristic protected by law.

What Nvidia employees say

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Hours and flexibility

Workplace

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About Nvidia

Sourced by ZipRecruiter

NVIDIA has been transforming computer graphics, PC gaming, and accelerated computing for more than 25 years. It's a unique legacy of innovation that's fueled by great technology--and amazing people. Today, we're tapping into the unlimited potential of AI to define the next era of computing. An era in which our GPU acts as the brains of computers, robots, and self-driving cars that can understand the world. Doing what's never been done before takes vision, innovation, and the world's best talent.

Industry

Computer and electronic product manufacturing

Company size

10,000+ Employees

Headquarters location

Santa Clara, CA, US

Year founded

1993