computational chemist jobs in London

Atlantic is building a discovery engine for chemistry in London, seeking a Computational Chemist to shape the scientific foundations of its end-to-end reaction simulation platform. You will integrate state-of-the-art computational chemistry with machine learning and design scalable workflows.You will own developing, validating and optimizing the...

Stealth - AI x Bio is building the computational backbone for data-driven synthesis in a stealth startup. You will own the end-to-end computational chemistry workflow, connecting synthetic chemistry, cheminformatics, and software with lab automation.You will sit with the chemists and automation engineers, turning expert judgement into repeatable rules,...

Atlantic is building a discovery engine for chemistry, combining end-to-end reaction simulations with a world model and agent stack. You will help shape the scientific foundations and integrate state-of-the-art methods with machine learning to accelerate chemical discovery.You will own the development and validation of computational chemistry components,...

This early-stage venture is building a discovery engine for chemistry, comprising a platform for running end-to-end simulations of chemical reaction systems, and a world model + agent stack that uses the simulation platform to discover new chemistry.Their goal is to build backend scientific data infrastructure to meet the demands of AI systems that can truly...

CureAge Therapeutics is on a mission to cure peripheral nerve diseases, starting with Neurofibromatosis type 1. We are looking for a senior computational chemist to lead the rational, computationally guided design of our lipid nanoparticle delivery platform. Nucleic acid delivery is the central challenge in our field, and we believe the next generation of...

This an Atlantic portfolio venture. About the Venture This early-stage venture is building a discovery engine for chemistry, comprising a platform for running end-to-end simulations of chemical reaction systems, and a world model + agent stack that uses the simulation platform to discover new chemistry. Their goal is to build backend scientific data...

CureAge Therapeutics is seeking a senior computational chemist to lead design of our lipid nanoparticle delivery platform for nucleic acid therapies. You will integrate chemical reasoning with AI-enabled tools to guide formulation choices and data-driven decisions.Open to part-time or flexible arrangements for the right candidate. Joining a growing start-up,...

Discover Tradebe Tradebe is a group of industrial businesses with the commitment of creating a more sustainable planet and making significant contributions to human wellbeing. In the UK, we are leaders focused on recycling, energy recovery and circular economy, managing all different environmental liabilities in a sustainable way.What will you do? Make an...

Discover Tradebe Tradebe is a group of industrial businesses with the commitment of creating a more sustainable planet and making significant contributions to human wellbeing. In the UK, we are leaders focused on recycling, energy recovery and circular economy, managing all different environmental liabilities in a sustainable way.What will you do? Make an...

LOCATION: King’s Cross, London · PATTERN: Hybrid, flexible for the right candidate The opportunity We’re a stealth startup in AI and bio, building infrastructure for data generation. The team is small and elite, the problems are hard, and the foundations are being laid right now. You’d help write them from the first line, with real ownership and a...

Isomorphic Labs is applying frontier AI to help unlock deeper scientific insights, faster breakthroughs, and life-changing medicines with an ambition to solve all disease. The future is coming. A future enabled and enriched by the incredible power of machine learning. A future in which diseases are curtailed or cured starting with better and faster drug...

Isomorphic Labs (IsoLabs) is seeking a senior Computational Chemist/Program Lead to guide drug discovery programs at the intersection of chemistry and ML. You will lead computational chemistry efforts across early discovery, mentor 2-3 scientists, and collaborate with ML and biology teams to push breakthrough designs.We value bold thinking,...

Isomorphic Labs is applying frontier AI to help unlock deeper scientific insights, faster breakthroughs, and life-changing medicines with an ambition to solve all disease. The future is coming. A future enabled and enriched by the incredible power of machine learning. A future in which diseases are curtailed or cured starting with better and faster drug...

Research Leader / Senior Research Investigator (Computational Drug Design), LondonLondonIsomorphic Labs is applying frontier AI to help unlock deeper scientific insights, faster breakthroughs, and life-changing medicines with an ambition to solve all disease.The future is coming. A future enabled and enriched by the incredible power of machine learning. A...

Atlantic Labs is building a discovery engine for chemistry, combining end-to-end reaction simulations with a world model and agent stack. You will advance the computational chemistry foundations, integrate ML, and help scale the platform to accelerate chemical discovery.The role offers a chance to shape research directions in a hands-on, early-stage...

This an Atlantic portfolio venture. About the Venture This early-stage venture is building a discovery engine for chemistry, comprising a platform for running end-to-end simulations of chemical reaction systems, and a world model + agent stack that uses the simulation platform to discover new chemistry. Their goal is to build backend scientific data...

Overview Novogaia is an applied AI drug discovery company. We build machine learning systems that decode the chemistry of natural organisms, starting with fungi, to find the next generation of medicines. We are a small team of AI engineers, computational biologists and chemists building foundation models for molecular structure prediction from mass...

CuspAI in the UK is hiring an experienced Applied AI/ML Engineer (Agents) to design and build the intelligent agents powering our autonomous materials discovery engine. You will architect agentic frameworks, connect ML models, simulations, databases and compute backends, and enable agents to plan, schedule, execute and interpret tasks at scale.Work closely...

King's College London is seeking a Postdoctoral Researcher to lead the computational chemistry work in a multidisciplinary drug-discovery programme targeting candidalysin. You will design peptide and peptidomimetic inhibitors, perform docking and MD simulations, and integrate predictions with biophysical data to refine models.The role involves collaboration...

Re-architecting Engineering for the Age of Intelligence PhysicsX is the physics AI company for industrials. The company’s mission is to accelerate hardware innovation by overhauling what industrial engineering and manufacturing look like today. PhysicsX is building a new simulation software stack to deliver deep physics AI enablement across the entire...