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Computational Chemistry Software Developer Jobs in Indiana

Adapts instruction using computational chemistry software, worked derivations, and visual quantum models to support chemistry majors at the advanced undergraduate level. * Effective Teaching Methods:

Adapts instruction using computational chemistry software, worked derivations, and visual quantum models to support chemistry majors at the advanced undergraduate level. * Effective Teaching Methods:

Adapts instruction using computational chemistry software, worked derivations, and visual quantum models to support chemistry majors at the advanced undergraduate level. * Effective Teaching Methods:

Adapts instruction using computational chemistry software, worked derivations, and visual quantum models to support chemistry majors at the advanced undergraduate level. * Effective Teaching Methods:

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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 cities in Indiana are hiring for Computational Chemistry Software Developer jobs?

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

Infographic showing various Computational Chemistry Software Developer job openings in Indiana as of August 2026, with employment types broken down into 86% Full Time, 10% Part Time, and 4% Contract. Highlights an 86% Physical, 4% Hybrid, and 10% Remote job distribution.

Senior Computational Chemist

Corteva Agriscience

Indianapolis, IN • On-site, Remote

Full-time

Medical, Retirement, PTO

Posted 12 days ago


Job description

Who are we, and what do we do. At Corteva Agriscience, you will help us grow what's next. No matter your role, you will be part of a team that is building the future of agriculture - leading breakthroughs in the innovation and application of science and technology that will better the lives of people all over the world and fuel the progress of humankind.

The computational chemistry team in Corteva Agriscience plays a critical role in the discovery and optimization of new active ingredients through advanced modeling, simulation, and data analysis. We are seeking a Senior Computational Chemist to help define and lead the future of molecule discovery and design at our Indianapolis Global Business Center. This is a unique opportunity to shape how computational chemistry drives innovation to enable resilient and sustainable agriculture.

What You'll Do: Innovate, build and apply novel computational chemistry capabilities that accelerate the design and optimization of novel agrochemical active ingredients for Crop Health R&D. Develop and implement advanced molecular modeling, simulation, and AI-based workflows for discovery and pipeline projects. Collaborate closely with multidisciplinary teams to shape project strategy and the design-build-test-learn cycle to integrate and improve computational predictions.

Mentor and coach scientists, fostering a culture of scientific excellence, innovation and collaboration across teams including chemists, biologists, and data scientists. Communicate project progress and key findings to stakeholders, including project leaders and R&D leadership. Keep pace with technological advances and contribute to intellectual property generation, scientific publications, and presentations at internal and external meetings.

What Skills You Need: Ph.D. in Computational Chemistry, Data Science, Chemical Informatics, Chemistry, or a related scientific field. 10+ years of experience applying computational chemistry in the pharmaceutical or agricultural industry

Demonstrated expertise in multiple computational approaches such as molecular modeling, virtual screening, homology modeling, pharmacophore elucidation, free energy perturbation, homology modeling, and/or structure-based drug design. Solid knowledge base and experience in the incorporation of data science methods (e.g., machine learning and generative AI) in molecule design and optimization. Proven experience working with large datasets, scientific computing and large-scale computing environments (e.g., HPC clusters, cloud computing)

Excellent communication (written and verbal), interpersonal, and technical writing skills. What makes you stand out: Strong background in cheminformatics, statistics, machine learning, and/or other data-driven modeling approaches. Experience combining chemistry-based mechanistic modeling with data-driven modeling in hybrid models for molecule design/optimization.

Familiarity with modern software tools and programming languages used in computational chemistry (e.g., Schrodinger Suite, MOE, AMBER, Gaussian, Python). Track record of impactful publications or patents in computational chemistry or molecule design/optimization. Experience mentoring or leading technical teams

#LI-BB1 Benefits - How We'll Support You: Numerous development opportunities offered to build your skills Be part of a company with a higher purpose and contribute to making the world a better place Health benefits for you and your family on your first day of employment Four weeks of paid time off and two weeks of well-being pay per year, plus paid holidays Excellent parental leave which includes a minimum of 16 weeks for mother and father Future planning with our competitive retirement savings plan and tuition reimbursement program Learn more about our total rewards package here - Corteva Benefits Check out life at Corteva. www.linkedin.com/company/corteva/life Are you a good match. Apply today

We seek applicants from all backgrounds to ensure we get the best, most creative talent on our team. Corteva Agriscience is an equal opportunity employer. We are committed to embracing our differences to enrich lives, advance innovation, and boost company performance.

Qualified applicants will be considered without regard to race, color, religion, creed, sex, sexual orientation, gender identity, marital status, national origin, age, military or veteran status, pregnancy related conditions (including pregnancy, childbirth, or related medical conditions), disability or any other protected status in accordance with federal, state, or local laws.