Senior Computational Chemist - Molecule Design & AI

Corteva Agriscience; Indianapolis (IN); On-site; USD 120,000 - 180,000; Full time

Benefits offered by this job

Health benefits

Four weeks PTO

Parental leave

Tuition reimbursement

Retirement plan

Job summary

Corteva Agriscience is seeking a Senior Computational Chemist to lead the design and optimization of novel agrochemical actives at our Indianapolis Global Business Center.

You will develop advanced modeling, AI-enabled discovery workflows, and collaborate across chemists, biologists, and data scientists to drive project strategy and accelerate the design-build-test-learn cycle. Leverage HPC resources and publish impactful results.

Qualifications

• 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.
• Expertise in multiple computational approaches such as molecular modeling, virtual screening, pharmacophore elucidation, free energy perturbation, homology modeling, and/or structure-based drug design.
• Solid knowledge of data science methods (e.g., machine learning and generative AI) in molecule design and optimization.
• Experience with large datasets, scientific computing and large-scale computing environments (e.g., HPC clusters, cloud).
• Excellent written and verbal communication skills.

Responsibilities

• Innovate, build and apply novel computational chemistry capabilities to accelerate agrochemical active ingredient design.
• Develop and implement advanced molecular modeling, simulation, and AI-based workflows for discovery.
• Collaborate with multidisciplinary teams to shape project strategy and the design-build-test-learn cycle.
• Mentor scientists and foster a culture of scientific excellence and collaboration.
• Communicate progress and findings to project leaders and R&D leadership.
• Contribute to IP generation, scientific publications, and external presentations.

Skills

10+ years experience

Molecular modeling

Virtual screening

Pharmacophore elucidation

Free energy perturbation

Structure-based design

Data science and ML

Large-scale computing

Communication skills

Python programming

Education

Ph.D. in Computational Chemistry / related field

Tools

Schrödinger Suite

MOE

AMBER

Gaussian

Python

Job description

Corteva Agriscience is seeking a Senior Computational Chemist to lead the design and optimization of novel agrochemical actives at our Indianapolis Global Business Center.

You will develop advanced modeling, AI-enabled discovery workflows, and collaborate across chemists, biologists, and data scientists to drive project strategy and accelerate the design-build-test-learn cycle. Leverage HPC resources and publish impactful results.