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Computational Chemistry Software Developer Jobs in Raleigh, NC

MyGradJob

Postdoctoral

Chapel Hill, NC · On-site

$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 ...

Becton, Dickinson and Company

Engineer II

Durham, NC · On-site

$94K - $129K/yr

The Engineer II is a key contributor within BD's Corporate Digital Engineering (DE) Simulation ... software like SolidWorks and simulation tools for Finite Element Analysis (FEA) and Computational ...

UNC-Chapel Hill

Post-Doc Trainee

Chapel Hill, NC

$16.50 - $19.75/hr

... chemistry, transport, and engineering. We are home to UNC's Water Institute and the Institute for ... computational toxicology and biology, environmental chemistry, statistics, bioinformatics ...

UNC-Chapel Hill

Post-Doc Trainee

Chapel Hill, NC

$16.50 - $19.75/hr

... chemistry, transport, and engineering. We are home to UNC's Water Institute and the Institute for ... computational toxicology and biology, environmental chemistry, statistics, bioinformatics ...

UNC-Chapel Hill

Post-Doc Trainee

Chapel Hill, NC · On-site

$16.50 - $19.75/hr

... chemistry, transport, and engineering. We are home to UNC's Water Institute and the Institute for ... computational toxicology and biology, environmental chemistry, statistics, bioinformatics ...

UNC-Chapel Hill

Post-Doc Trainee

Chapel Hill, NC

$16.50 - $19.75/hr

... chemistry, transport, and engineering. We are home to UNC's Water Institute and the Institute for ... computational toxicology and biology, environmental chemistry, statistics, bioinformatics ...

NCSU

Research Engineer

Raleigh, NC · On-site

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

Arclin

Product Development Chemist

Moncure, NC · On-site

Required Qualifications * Bachelors of Science in Chemistry or related field * 2-3 years of ... Basic understanding of engineering processes used in resin production.

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All JobsComputational Chemistry Software Developer JobsComputational Chemistry Software Developer Jobs in Raleigh, NC

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 Jul 2, 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 are Computational Chemistry Software Developers?

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, and why are they important?

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:
Computational Chemistry Software Developer jobs near you
Post-Doc Research Associate

Post-Doc Research Associate

UNC-Chapel Hill

Chapel Hill, NC

Full-time

Medical, Vision, PTO

Posted 6 hours ago

University Of North Carolina At Chapel Hill rating

7.5

Company rating: 7.5 out of 10

Based on 48 frontline employees who took The Breakroom Quiz

268th of 544 rated colleges and universities

Job description

Posting Details
Department Pharmacology - 424001 Posting Open Date 03/30/2026 Application Deadline Open Until Filled No Position Type Postdoctoral Scholar Position Title Post-Doc Research Associate Vacancy ID PDS004813 Full-time/Part-time Full-Time Temporary Hours per week 40 FTE 1 Work Location Chapel Hill, NC Position Location North Carolina, US Hiring Range Proposed Start Date 04/01/2026 Estimated Duration of Appointment 12 Months
Position Information
Be a Tar Heel!
A global higher education leader in innovative teaching, research and public service, the University of North Carolina at Chapel Hill consistently ranks as one of the nation's top public universities and is among is the top ten research universities in the nation for federal research expenditures as well as for federally funded social and behavioral sciences research and development.
Here at Carolina, our highly skilled postdocs play a vital role in our research enterprise and towards our overall commitment to research excellence. Across many disciplines, postdocs contribute to the intellectual vitality of the University. They provide innovative ideas and perspectives, foster a stimulating research environment and advance knowledge within their fields. Postdocs are crucial members of our scientific research workforce, contributors to our research outputs and an important reason why Carolina is one of the leading public research institutions in the country.
UNC-Chapel Hill offers postdocs comprehensive medical and vision coverage, paid leave, and benefits and services that support professional development and a healthy work/life balance. Chapel Hill regularly ranks as one of the best college towns and best places to live in the United States, a reputation guided by the diverse social, cultural, recreation and professional opportunities that span the campus and community.
Primary Purpose of Organizational Unit
Our mission is to improve the health and well-being of North Carolinians and others whom we serve. We accomplish this by providing leadership and excellence in the interrelated areas of patient care, education and research.
Patient care: We promote health and provide superb clinical care while maintaining our strong tradition of reaching underserved populations and reducing health disparities across North Carolina and beyond.
Education: We prepare tomorrow`s healthcare professionals and biomedical researchers from all backgrounds by facilitating learning within innovative and integrated curricula and team-oriented interprofessional education to ensure a highly skilled workforce.
Research: We develop and support a rich array of outstanding health sciences research programs, centers and resources. We provide infrastructure and opportunities for collaboration among disciplines throughout and beyond our university to support outstanding research. We foster programs in the areas of basic, translational, mechanistic and population research.
Position Summary
The Miao Lab at the University of North Carolina at Chapel Hill invites applications for a Postdoctoral position in AI driven drug discovery and accelerated molecular simulations. This role will support innovative research at the intersection of Artificial Intelligence, Computational Biophysics and Chemistry, and Drug Discovery. The successful candidate will contribute to the development of novel theoretical and computational methods as well as advanced AI techniques to accelerate simulations of biomolecular recognition and cellular signaling. The position also offers opportunities to collaborate with world-leading experimental researchers and participate in high impact drug discovery efforts targeting therapeutically important biomolecules including G-protein-coupled receptors (GPCRs), membrane embedded proteases and RNA.
Minimum Education and Experience Requirements
A Ph.D. and/or M.D. in biomedical or related sciences is required.
Required Qualifications, Competencies, and Experience
The position requires knowledge and training in computational biophysics/chemistry and drug design. The researcher will conduct research to forward the developments of biomolecular modeling and AI-driven drug discovery. The researcher will also be engaged in developing proposals for new funding sources, publishing and presenting research topics as applicable. Candidates are expected to have strong publication record in biomolecular modeling and computational biophysics/chemistry.
Preferred Qualifications, Competencies, and Experience
Programming skills (e.g., python, bash scripting, Fortran, C++ and CUDA), expertise in computational modeling (such as Deep Learning, Molecular Dynamics and virtual screening), successful experimental collaboration experiences and excellent communication skills are preferred.
Special Physical/Mental Requirements Special Instructions
For information on UNC Postdoctoral Benefits and Services click here
Quick Link https://unc.peopleadmin.com/postings/315302
Posting Contact Information
Department Contact Name and Title Maria Montemurro HR Consultant Department Contact Telephone or Email maria_montemurro@med.unc.edu Postdoctoral Affairs Contact Information
If you experience any problems accessing the system or have questions about the application process, please contact the University's Office of Postdoctoral Affairs at (919) 962-9982 or send an email to opahr@unc.edu.
Please note: The Office of Postdoctoral Affairs will not be able to provide specific updates regarding position or application status.
Equal Opportunity Employer Statement
The University is an equal opportunity employer and welcomes all to apply without regard to age, color, gender, gender expression, gender identity, genetic information, national origin, race, religion, sex, or sexual orientation. We encourage all qualified applicants to apply, including protected veterans and individuals with disabilities.

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About University of North Carolina at Chapel Hill

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The University of North Carolina at Chapel Hill (UNC-Chapel Hill), located in Chapel Hill, NC, US, is renowned for being one of the leading research institutes in the world. Operating within the education industry, this public research university offers a broad range of undergraduate, graduate, and professional programs across various disciplines. UNC-Chapel Hill was chartered in 1789 and has maintained its legacy of academic excellence and innovative research for more than two centuries. The institution operates under the core values of excellence, innovation, engagement, accessibility, diversity, and inclusivity. Their mission is to serve the people of North Carolina and the United States by teaching a diverse community of students to become the next generation of leaders.

Industry

Colleges, universities, and professional schools

Company size

10,000+ Employees

Headquarters location

Chapel Hill, NC, US

Year founded

1789

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