Jobs
My ads
My job alerts
Sign in
Find a job Career Tips Companies
Find

Senior computational chemist

London
S3 Science
Chemist
Posted: 9 February
Offer description

Job Description

Senior Computational Scientist – Drug Discovery

Location: Cambridge / Paris / Remote (EU/UK)

Team: Computational Chemistry / AI Drug Discovery

Who We Are

We’re a drug discovery biotech using computational science and AI to design better medicines, faster. Our work directly supports active drug discovery programs, and computational insights are part of everyday decision-making.

We’re at a stage where our platform is proven, our pipeline is moving, and we’re now looking to strengthen senior scientific ownership across programs.

The Role

We’re hiring a Senior Computational Scientist to play a leading role in our drug discovery efforts.

You’ll take ownership of computational strategy across one or more programs, working closely with medicinal chemists, biologists, and ML scientists. This role is about influence as much as execution, helping teams decide what to prioritise, what to trust, and where computation adds the most value.

You won’t be managing people on day one (unless that’s your strength), but you will be expected to lead scientifically and set a high bar for quality and thinking.

What You’ll Be Doing

* Owning and shaping the computational approach within active drug discovery programs
* Designing and interpreting docking, MD, and free energy calculations to guide compound decisions
* Advising teams on the strengths and limitations of different modelling approaches
* Working closely with ML scientists to combine physics-based and AI-driven methods
* Reviewing and improving computational workflows and best practices
* Communicating results clearly and confidently in project and leadership meetings
* Mentoring more junior scientists and helping raise the overall bar

What We’re Looking For

* A PhD (or equivalent industry experience) in computational chemistry, biophysics, physics, or a related field
* Several years of hands-on experience applying computational methods in drug discovery
* Strong intuition for structure–activity relationships and molecular interactions
* Experience with industry-standard modelling tools (e.g. Schrödinger, OpenMM, GROMACS, AMBER)
* Solid Python skills for analysis, automation, and reproducibility
* Confidence engaging with experimental teams and influencing decisions

Nice to Have

* Deep experience with free energy methods
* Exposure to AI / ML approaches in molecular design
* Experience supporting programs through hit-to-lead or lead optimisation in industry

Why Join Us

* You’ll have real scientific ownership and visibility across the organisation
* Computation is treated as a strategic capability, not a service function
* Strong collaboration with experimental teams and external partners
* Competitive salary, meaningful equity, and flexible working
* Clear pathways toward principal scientist or broader technical leadership roles

Apply
Create E-mail Alert
Job alert activated
Saved
Save
Similar job
Laboratory chemist, r&d, oxford, cor7546 corriculo ltd
Watford
Permanent
Notjustlabcoats
Chemist
€35,000 a year
Similar job
R&d lab chemist – clean tech, oxford
Watford
Permanent
Notjustlabcoats
Chemist
€35,000 a year
Similar job
Senior computational chemist
London
Permanent
S3 Science
Chemist
€75,000 a year
See more jobs
Similar jobs
S3 Science recruitment
S3 Science jobs in London
Science jobs in London
jobs London
jobs Greater London
jobs England
Home > Jobs > Science jobs > Chemist jobs > Chemist jobs in London > Senior Computational Chemist

About Jobijoba

  • Career Advice
  • Company Reviews

Search for jobs

  • Jobs by Job Title
  • Jobs by Industry
  • Jobs by Company
  • Jobs by Location
  • Jobs by Keywords

Contact / Partnership

  • Contact
  • Publish your job offers on Jobijoba

Legal notice - Terms of Service - Privacy Policy - Manage my cookies - Accessibility: Not compliant

© 2026 Jobijoba - All Rights Reserved

Apply
Create E-mail Alert
Job alert activated
Saved
Save