Senior Computational Chemist, Drug Discovery (AI)

TL;DR

Senior Computational Chemist (AI): Developing novel drugs and materials by integrating AI and physics-based computational solutions with an accent on critically assessing and refining computational approaches. Focus on combining quantum, AI, and physics-based methods to advance drug discovery.

Location: This is a remote role based in the United Kingdom.

Salary: £64K – £96K

Company

hirify.global is a high-growth company delivering AI solutions that address some of the world's greatest challenges.

What you will do

• Apply computational solutions to address unmet drug discovery challenges, questioning assumptions and rigorously validating results.
• Work closely with the development team to enhance hirify.global’s unique technology and Large Quantitative Models (LQMs) for large-scale impact.
• Translate insights from molecular dynamics, free energy perturbation, molecular docking, quantum, and ML methods into actionable, testable drug discovery hypotheses.
• Collaborate closely with ML experts and cross-functional teams to prototype and scale innovative drug design solutions.
• Develop and deploy computational methods and workflows to generate and evaluate hypotheses, guiding design decisions and influencing project direction.
• Directly contribute to the discovery of innovative medicines by integrating computational chemistry techniques into multidisciplinary drug discovery teams.

Requirements

• PhD in computational physics, computational chemistry, or a related discipline.
• 3-5 years of relevant experience, including hands-on experience with computational chemistry applied to drug discovery in biotech, pharma, or related industries.
• Excellent communication skills and record of fostering successful internal collaboration and effective external partnerships.
• A deep commitment to critical thinking - comfortable questioning methodologies, challenging assumptions, and refining approaches to improve predictive accuracy.
• Proficiency in structure-based drug design and familiarity with ligand-based drug design methods.
• Experience in the Python data science stack (NumPy, Pandas, SciPy, etc.).

Nice to have

• Experience in quantum chemistry and/or protein folding.

Culture & Benefits

• Competitive base salary, performance-based incentives or bonuses (where applicable), and equity participation.
• Comprehensive medical, dental, and vision coverage for employees and dependents with generous employer premium contributions, retirement savings with company matching, paid parental leave, and inclusive family-building benefits.
• Flexible paid time off, company-wide seasonal breaks, and support for flexible work arrangements that enable sustainable performance.
• Opportunities for continuous learning and growth through on-the-job development, cross-functional collaboration, and access to internal learning and development programs.