Ingenio is proud to partner with an award-winning, venture-backed technology company transforming pharmaceutical R&D through Crystal Structure Prediction (CSP).

Working with leading global pharma companies, research institutes, and solution providers, this organisation is driving measurable value in drug development using advanced computational chemistry. Backed by national and European funding, their technology is at the forefront of scientific innovation.

They are now hiring a Computational Chemist Developer to join a highly skilled team shaping the next generation of crystal-structure prediction tools.

What You’ll Do

• Collaborate closely with the CTO and scientific team to design and develop advanced computational modules and algorithms
• Contribute to cutting-edge research in crystal-structure prediction for pharmaceutical applications
• Define research objectives and deliver original research aligned with R&D and product strategy
• Document technical progress and contribute to internal reports and external white papers
• Provide technical expertise in engagements with pharma customers and research partners

This is a hands-on scientific and development role where your work will directly influence both product development and real-world pharmaceutical outcomes.

What You Must Have:

• Ph.D. (or near completion) in Chemistry, Physics, Materials Science, or related field
• (or 2+ years equivalent research experience)
• Strong expertise in DFT (organic systems) and atomic-scale modelling of gas-phase and periodic systems
• Hands-on experience with DFT software (e.g. VASP, Quantum Espresso, Orca, Turbomole, Gaussian, Psi4)
• Proven Crystal Structure Prediction (CSP) experience
• Deep knowledge of solid-state crystallisation (molecular crystals, co-crystals, salts, hydrates/solvates, amorphous systems)
• Scientific/parallel programming skills (preferably Python) and Git version control

Why This Role?

• Work on genuinely novel, award-winning technology
• Collaborate with global pharma leaders
• Be part of a high-impact, research-driven environment
• Shape scientific direction alongside senior technical leadership
• Competitive package with bonus and benefits

Additional details:

Location: South Dublin (Onsite 4 days per week)

Package: Competitive salary + 10% annual bonus + Healthcare + Pension

If you’re passionate about computational chemistry and want to see your research translate into real-world pharmaceutical innovation, apply now!