National AI Awards 2025Discover AI's trailblazers! Join us to celebrate innovation and nominate industry leaders.

Nominate & Attend

Senior Computational Chemist

Cambridge
4 months ago
Applications closed

Related Jobs

View all jobs

Senior Research Engineer – Machine Learning – Microsoft Research

Senior/Principal Machine Learning Scientist - Causality (London)

Senior Computer Vision Engineer

Senior Data Scientist

Senior/Principal Machine Learning Scientist - Causality (London)

Data Analysis Scientist - Machine Learning

We are working with a leading pharmaceutical research facility that supports drug discovery programs from Target ID through to clinical candidacy. As a Senior Computational Chemist, you will develop computational simulations, models and data analysis techniques to support scientists throughout drug-discovery projects.

Key Responsibilities:



Develop and implement computational models and simulations to help support our drug discovery projects

*

Analyse datasets using statistical and machine-learning techniques

*

Collaborate with experimental scientists to validate models and integrate computational insights into practical applications

*

Optimise algorithms and workflows for efficiency and scalability

*

Write and maintain clear, well-documented code and technical reports

*

Stay up to date with the latest developments in computational science and apply innovative methods where appropriate

*

Present findings to internal teams and external collaborators

The ideal candidate will have:

*

PhD in Computational Chemistry – additional industrial experience supporting drug discovery programs is advantageous

*

A solid understanding of the structural and physicochemical determinants of molecular recognition

*

Experience working with experimental biomolecular docking, pharmacophore modelling, conformational analysis, quantum chemistry, homology modelling, molecular dynamics

*

Strong background in computational modelling, numerical methods, or scientific computing & knowledge of programming languages such as Python, C++, R, MATLAB

Knowledge and experience with the Maestro and Schrodinger Suite components, high-performance computing (HPC) and cloud computing environments is highly desirable.

In return, our client can offer a competitive remuneration package including excellent benefits and the chance to play key role in the development of therapeutics for various disease targets.

Key words: Senior Computational Chemist, CADD, Drug Discovery, HIT ID, Target ID, Clinical, physiochemical, molecular recognition, simulation, model, biomolecular cocking, molecular dynamics, Maestro, C++, Python, AI, Machine learning, Cambridge, London, Bedford, Oxford, Hertfordshire, VRS8989DT.

Please note that by submitting your application to VRS Ltd your details will be registered with us so that we can contact you about suitable job opportunities now and in future. You may unsubscribe at any time by emailing us directly via our website

National AI Awards 2025

Subscribe to Future Tech Insights for the latest jobs & insights, direct to your inbox.

By subscribing, you agree to our privacy policy and terms of service.

Industry Insights

Discover insightful articles, industry insights, expert tips, and curated resources.

AI Jobs Skills Radar 2026: Emerging Frameworks, Languages & Tools to Learn Now

As the UK’s AI sector accelerates towards a £1 trillion tech economy, the job landscape is rapidly evolving. Whether you’re an aspiring AI engineer, a machine learning specialist, or a data-driven software developer, staying ahead of the curve means more than just brushing up on Python. You’ll need to master a new generation of frameworks, languages, and tools shaping the future of artificial intelligence. Welcome to the AI Jobs Skills Radar 2026—your definitive guide to the emerging AI tech stack that employers will be looking for in the next 12–24 months. Updated annually for accuracy and relevance, this guide breaks down the top tools, frameworks, platforms, and programming languages powering the UK’s most in-demand AI careers.

How to Find Hidden AI Jobs in the UK Using Professional Bodies like BCS, IET & the Turing Society

When it comes to job hunting in artificial intelligence (AI), most candidates head straight to traditional job boards, LinkedIn, or recruitment agencies. But what if there was a better way to find roles that aren’t advertised publicly? What if you could access hidden job leads, gain inside knowledge, or get referred by people already in the field? That’s where professional bodies and specialist AI communities come in. In this article, we’ll explore how UK-based organisations like BCS (The Chartered Institute for IT), IET (The Institution of Engineering and Technology), and the Turing Society can help you uncover AI job opportunities you won’t find elsewhere. We'll show you how to strategically use their directories, special-interest groups (SIGs), and CPD (Continuing Professional Development) events to elevate your career and expand your AI job search in ways most job seekers overlook.

How to Get a Better AI Job After a Lay-Off or Redundancy

Being made redundant or laid off can feel like the rug has been pulled from under you. Whether part of a wider company restructuring, budget cuts, or market shifts in tech, many skilled professionals in the AI industry have recently found themselves unexpectedly jobless. But while redundancy brings immediate financial and emotional stress, it can also be a powerful catalyst for career growth. In the fast-evolving field of artificial intelligence, where new roles and specialisms emerge constantly, bouncing back stronger is not only possible—it’s likely. In this guide, we’ll walk you through a step-by-step action plan for turning redundancy into your next big opportunity. From managing the shock to targeting better AI jobs, updating your CV, and approaching recruiters the smart way, we’ll help you move from setback to comeback.