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

Nominate & Attend

Research Scientist, Quantum Chemistry and Machine Learning, London London

Tbwa Chiat/Day Inc
London
2 months ago
Applications closed

Related Jobs

View all jobs

Senior/Principal Machine Learning Scientist - Causality (London)

Senior Machine Learning Scientist - Search (London)

Senior Machine Learning Scientist - Recommendations (London)

Senior Data Scientist - Data Science Analytics And Enablement

Principal / Lead Data Scientist (London)

Machine Learning Scientist Experience Needed

Research Scientist, Quantum Chemistry and Machine Learning, London

London

Research Scientist, Quantum Chemistry and Machine Learning, London

Isomorphic Labs is a new Alphabet company that is reimagining drug discovery through a computational- and AI-first approach.

We are on a mission to accelerate the speed, increase the efficacy and lower the cost of drug discovery. You'll be working at the cutting edge of the new era of 'digital biology' to deliver a transformative social impact for the benefit of millions of people.

Come and be part of a multi-disciplinary team driving groundbreaking innovation and play a meaningful role in contributing towards us achieving our ambitious goals, while being a part of an inspiring, collaborative and entrepreneurial culture.

Your impact

As a Research Scientist in Quantum Chemistry and Machine Learning you will play an exciting role in building greenfield machine learning based models and algorithms that will power our platform to transform the drug discovery world as we know it.

Working in a highly creative, fast-paced and interdisciplinary environment, you will be partnering with leading engineers and scientists to simulate biochemistry on a computer thus helping us develop cutting edge predictive models which will be critical to the organisation’s success. You will draw upon your existing deep research experience whilst learning from those around you, to apply novel techniques and ideas to newly encountered computational biology and chemistry problems.

You will be instrumental in leading computational chemistry based research projects, predicting relevant experimental quantities and helping to generate data to train algorithms that will power our platform to transform the drug discovery world as we know it.

What you will do

  • Contribute to our drug development projects by using your extensive knowledge of theoretical chemistry to run accurate and relevant simulations.
  • Develop the computational infrastructure to run simulations at scale through our cloud compute platform.
  • Generate synthetic datasets that help improve the performance of our ML models.
  • Report and present research findings and developments clearly and efficiently, to both other ML scientists and scientists of different disciplines.
  • Iterate collaboratively with scientists and domain experts, sharing your own domain experience.
  • Suggest and engage in team collaborations to meet ambitious research goals.

Depending on your experience:

  • Provide technical mentorship and guidance to the ML research community, advising on projects, and shaping our research roadmap based on your deep technical expertise.
  • Provide developmental support to other ML research scientists.
  • Create, lead, and run ML research projects, fostering collaborative and diverse teams to solve high priority modelling problems. Cultivate a diverse and inclusive research culture.

Skills and qualifications

  • PhD or equivalent practical experience in a technical field.
  • A proven track record in applying computational chemistry to predict relevant experimental quantities in an applied research field.
  • Strong scientific knowledge of biology, chemistry, or physics
  • Exposure to applied ML research.
  • Depending on your experience: project supervision, leadership, or management.

Nice to have

  • PhD in chemistry or physics.
  • Relevant research experience to the position such as post doctoral roles, a proven track record of publications, or contributions to machine learning codebases.
  • Experience using ML frameworks such as JAX, PyTorch, or TensorFlow, and scientific software such as NumPy, SciPy, or Pandas
  • Strong knowledge of linear algebra, calculus and statistics
  • Experience working in a scientific environment across disciplines (particularly biology, chemistry, physics)
  • Experience working with biological or chemical data and biological or chemistry software
  • Experience working with real-world datasets
  • Experience with ML on accelerators
  • Experience in any of: large scale deep learning, generative models, graph neural networks, deep learning for drug discovery, deep learning for computer vision, 3D graphics/robotics, real-world applied RL.

Culture and values

We are guided by our shared values. It's not about finding people who think and act in the same way. These values help to guide our work and will continue to strengthen it.

Thoughtful- Thoughtful at Iso is about curiosity, creativity and care. It is about good people doing good, rigorous and future-making science every single day.

Brave- Brave at Iso is about fearlessness, but it’s also about initiative and integrity. The scale of the challenge demands nothing less.

Determined- Determined at Iso is the way we pursue our goal. It’s a confidence in our hypothesis, as well as the urgency and agility needed to deliver on it. Because disease won’t wait, so neither should we.

Together- Together at Iso is about connection, collaboration across fields and catalytic relationships. It’s knowing that transformation is a group project, and remembering that what we’re doing will have a real impact on real people everywhere.

Creating an inclusive company

We believe that to be successful we need our teams to reflect and represent the populations we are striving to serve. We’re working to build a supportive and inclusive environment where collaboration is encouraged, learning is shared and every employee feels like they truly belong. We value diversity of experience, knowledge, backgrounds and perspectives, and harness these qualities to create extraordinary impact.

We are committed to equal employment opportunities regardless of sex, race, religion or belief, ethnic or national origin, disability, age, citizenship, marital, domestic or civil partnership status, sexual orientation, gender identity, pregnancy or related condition (including breastfeeding) or any other basis protected by applicable law. If you have a disability or additional need that requires accommodation, please do not hesitate to let us know.

It’s hugely important for us to share knowledge and build strong relationships with each other, and we find it easier to do this if we spend time together in person. This is why we follow a hybrid model, andwould require you to be able to come into the office 3 days a week(currently Tuesday, Wednesday, and one other day depending on which team you’re in). As an equal opportunities employer, we are committed to building an equal and inclusive team. If you have additional needs that would prevent you from following this hybrid approach, we’d be happy to talk through these if you’re selected for an initial screening call.

#J-18808-Ljbffr

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.