Computational chemists & biologists Work, Jobs in Fitzrovia, Gtl (with Salaries)

AI Scientist
Mater-AI Limited —London
- £50,000 - £55,000 a year
- Full-time
- Hybrid work
- Doctoral degree
- Engineering
- English
Quick apply
19h
Computational Chemist
ICR —Sutton
- £50,825 - £53,500 a year
- Doctoral degree
5h
Full-time PhD studentship (Chain & Yong Group)
University College London —London
- £24,643 a year
- Full-time
- Computer Science
- Master's degree
- Maths
Translational Bioinformatician
Great Ormond Street Hospital for Children —London
- £58,133 - £65,261 a year
- Full-time
- Doctoral degree
- Hospital
- Data analysis skills
10d
Senior Principal Biostatistician
Novartis —London
- Full-time
- Doctoral degree
- English
- Communication skills
Research Fellow (Bioinformatician) - two posts
University College London —London
- £39,148 - £52,586 a year
- Full-time
- Doctoral degree
- Python
- Time management
- Annual leave
- Employee assistance programme
6d
Research Associate
Imperial College London —South Kensington
- £43,863 - £57,582 a year
- Full-time
- Doctoral degree
- University
- Machine learning
11d
Senior Principal Scientist / Director – Computational Chemistry (IDD)
Pharmaron —Hoddesdon
- Doctoral degree
- AI
- Leadership
Quick apply
Principal Computational Methodologist (UK)
UCB —Slough
- Doctoral degree
- Computer Science
- Engineering
11d
Research Associate in AI-enhanced Molecular Dynamics to Study Antibiotic Accumulation in Bacteria
Imperial College London —White City
- £49,017 - £57,472 a year
- Full-time
- Doctoral degree
- University
- Machine learning
10d
Bioinformatician, BBSRC Snake Retinas
The Natural History Museum —South Kensington
- £47,045 a year
- Hybrid work
- Doctoral degree
- English
- Communication skills
- Employee discount
- Life insurance
Analytical Scientist in Data Science
ICR —London
- £39,805 - £50,862 a year
- Machine learning
8d
Scientist
Genomics —London
- Full-time
- Hybrid work
- Python
- Annual leave
Feasibility Informatics Analyst
Medpace, Inc. —London
- Full-time
- Computer Science
- Engineering
- Master's degree
- Annual leave
5d
Senior Biostatistician
Everest Clinical Research —Croxley Green
- Remote
- Doctoral degree
- Master's degree
- Project management
- Work from home
Quick apply
12d
Full-time PhD studentship (Lasso Group)
University College London —London
- £24,643 a year
- Full-time
- Data analysis skills
- Master's degree
- Bachelor's degree
Senior Data Scientist, RWE
IQVIA —London
- English
- Master's degree
- Bachelor's degree
8d
Fleming Initiative - Research Fellow in Generative AI for Molecular Design
Imperial College London —White City
- £55,144 - £65,073 a year
- Full-time
- Doctoral degree
- Project management
- Machine learning
Principal Biostatistician - Biomarker (EMEA Remote)
サイネオス・ヘルス —London
- Remote
- Doctoral degree
- Master's degree
- Contracts
Founding Member of Technical Staff
Immunara —London
- £150,000 - £300,000 a year
- Full-time
Quick apply
8d

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AI Scientist

Mater-AI Limited
London

Quick apply

Job details

Full-time
£50,000 - £55,000 a year
19 hours ago

Qualifications

Doctoral degree
Engineering
English
Master's degree
Deep learning
Python

Full job description

Role: AI Scientist (Up to £55K per annum)
Location: Hybrid (London, Moorgate)
Duration: Full-time, starting 1st August 2026

About Mater-AI

Many of the materials that will define the next century of energy and computation don't exist yet, so we're building the AI to find them.

Mater-AI is an early-stage deep-tech startup in London using machine learning to discover novel thermoelectric materials. These materials can cool electronics with no moving parts and turn waste heat into usable electricity. The chemical space we're searching is too large to explore manually, so the models we build decide where to look.

About the Role

You'll build the engine that drives discovery.

Our pipeline generates and screens candidate materials before we commit any to expensive first-principles simulation and lab validation. The screening models you build are the filters that determine which candidates are worth exploring thoroughly, and ultimately which materials we try to make real. Optimising these filters means breakthroughs faster than anyone in the field.

Two problems sit at the heart of it:

Models must be robust for extrapolation, not just interpolation; the interesting candidates live at the edges of known chemistry, exactly where the majority of models are most uncertain.
Every first-principles calculation we run on a top candidate is a hard-won signal; you'll design how that data flows back into the models to improve future predictions, while guarding against mode collapse.

This is a high-autonomy role. The models you choose and the data you trust will decide the proposed candidates, and what the company discovers. Rigorous evaluation and defensible decision-making are incredibly important.

What you'll do

Design, build and further optimise the ML that screens generated candidates (ensembles, deep learning, chemistry-based whatever the problem demands), and ship your changes into a live pipeline.
Push the pipeline to the frontier by bringing in new methods, agentic research workflows, and entirely new model types where necessary.
Turn first-principles results into better predictions by building the feedback loop that improves the models that undertake generation and screening.
Direct what gets discovered through your analysis of model outputs, which sets the materials that advance to simulation and the lab.
Analyse model outputs and existing data to identify physically-meaningful patterns.
Train and stress-test models at scale across HPC and VM GPU clusters, as well as on local machines.
Get fluent in an existing scientific codebase quickly, then work to improve it.

Required

Strong hands-on experience building and evaluating ML for scientific applications: deep learning, ensembles, generative models or related.
Rigour in evaluation: appropriate statistical metrics, uncertainty estimation, reproducible benchmarking.
Excellent software engineering (python) and a track record of version-controlled code.
Experience orchestrating large-scale computational workflows on HPC and VMs, and running them efficiently.
A knack for systems that detect, diagnose, and recover from failure with minimal supervision.
Comfort reading and reasoning about a codebase you didn't write.
Proven ability to work independently and deliver defensible innovative solutions in a fast-moving startup.
Being proactive and a clear communicator across a multidisciplinary team of physicists, ML researchers, and founders.
Right to work and live in the UK and fluent in English.

Nice to have

Familiarity with computational materials science or first-principles workflows (DFT, MLIPs, MD, transport).
Building agents for scientific discovery or engineering workflows (autonomous experimentation, code-writing agents, pipeline orchestration).
A feel for data-sensitivity and IP: data residency, keeping proprietary data in trusted environments.
Active learning, uncertainty quantification, reinforcement learning, or other adaptive techniques.
HPC and GPU environments, containerisation, job schedulers.

Education

A formal background in a quantitative scientific or engineering discipline (PhD, postdoc, or MSc with 4+ years' experience), or equivalent proven industry experience building ML for science, ideally in materials discovery.

What we offer

Real ownership: the models you build steer the whole discovery effort.
Access to state-of-the-art GPUs, and problems that require their use.
A founding team at the frontier of AI and computational materials science to build alongside.
Competitive compensation and a flexible remote policy.

We review applications on a rolling basis. Apply even if you don't tick every box.

Apply via one of the following:

Indeed
Company website -> http://mater-ai.com/careers/ai-scientist

Job Type: Full-time

Pay: £50,000.00-£55,000.00 per year

Application question(s):

Will you now or in the future require sponsorship for employment visa status?
What are your salary expectations? (Please do not enter an amount above the advertised salary)

Work authorisation:

United Kingdom (required)

Work Location: Hybrid remote in London EC2Y

Quick apply

Refine Your Search

computational chemists & biologists jobs in fitzrovia, gtl

AI Scientist

Computational Chemist

Full-time PhD studentship (Chain & Yong Group)

Translational Bioinformatician

Senior Principal Biostatistician

Research Fellow (Bioinformatician) - two posts

Research Associate

Senior Principal Scientist / Director – Computational Chemistry (IDD)

Principal Computational Methodologist (UK)

Research Associate in AI-enhanced Molecular Dynamics to Study Antibiotic Accumulation in Bacteria

Bioinformatician, BBSRC Snake Retinas

Analytical Scientist in Data Science

Scientist

Feasibility Informatics Analyst

Senior Biostatistician

Full-time PhD studentship (Lasso Group)

Senior Data Scientist, RWE

Fleming Initiative - Research Fellow in Generative AI for Molecular Design

Principal Biostatistician - Biomarker (EMEA Remote)

Founding Member of Technical Staff

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