Computational Chemist & AI Engineer

Skills Alliance
Leeds
1 month ago
Applications closed

Related Jobs

View all jobs

Research Scientist, Quantum Chemistry and Machine Learning, London London

Research Scientist Quantum Chemistry and Machine Learning London

Research Fellow in Quantum Nanoplasmonics - School of Physics and Astronomy - 103748 - Grade 7

Quantum Algorithms Engineer

Applications Engineer at Quantum Motion Technologies

Senior Integrated Photonics Engineer

AI Scientist – Computational Chemistry & Machine Learning

A technology-driven company at the forefront of scientific innovation is seeking anAI Scientistwith expertise incomputational chemistryandapplied machine learningto help develop transformative tools for drug discovery and partner success.

Key Responsibilities

  • Build and maintain strong relationships with external partners, delivering high-impact, transformational AI projects.
  • Collaborate with multidisciplinary teams—including data scientists, software engineers, and product teams—to integrate emerging technologies into real-world solutions.
  • Design and implementcutting-edge AI algorithms, ensuring their integration intorobust, production-grade platformsthat enhance research efficiency.
  • Translate scientific and business goals intoscalable and maintainable softwaresolutions.
  • Own thefull development lifecycle, from requirements gathering through to planning, coding, testing, and deployment.
  • Stay current onadvancements in computational science and AI, applying relevant innovations to project work.

Core Qualifications

  • MSc or PhD inComputational Chemistry,Cheminformatics,Quantum Mechanics, orAI for scientific discovery.
  • Demonstrated impact in previousscientific or technical projects, ideally within the life sciences or drug discovery space.
  • Advanced programming skills, especially inPython; experience in other languages (e.g.,C/C++,Java) is a plus.
  • Strong communicator, able toclearly articulate scientific ideasto diverse technical and non-technical audiences.
  • Collaborative, growth-oriented mindset with a passion forrapidly translating novel research into real-world applications.

Preferred Experience

Expertise in one or more of the following areas:

  • Artificial Intelligence: Experience withGNNs,transformers,generative models,Gaussian processes, orreinforcement learning.
  • Cheminformatics: Familiarity withchemical data formats,reaction prediction, and tools such asRDKitorOpenEye.
  • Quantum Mechanics: Practical use ofQM methodsfor synthesis prediction using tools likePSI4,Orca, orGaussian.
  • Big Data: Experience curating and processing data from diverse sources; exposure toApache SparkorHadoopis beneficial.
  • Cloud Platforms: Proficiency withAWS,GCP, orAzure.
  • ML Frameworks: Hands-on withscikit-learn,TensorFlow,PyTorch, or related libraries.

Get the latest insights and jobs direct. Sign up for our newsletter.

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

Industry Insights

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

Jobs

Quantum Computing Jobs at Newly Funded UK Start-ups: Q3 2025 Investment Tracker

Quantum computing is poised to change the face of computing as we know it—tackling previously unsolvable problems in cryptography, drug discovery, material science, and complex optimisation. In the United Kingdom, a thriving research community, strong venture capital base, and supportive government initiatives have transformed the country into a hotbed for quantum innovation. In this Q3 2025 Investment Tracker, we’ll delve into newly funded UK quantum computing start-ups, highlighting their mission, their recent investments, and the exciting roles they’re looking to fill. We’ll also show how job seekers can leverage these developments to secure roles in one of tech’s most cutting-edge fields, connecting with them via QuantumComputingJobs.co.uk. Whether you’re a theoretical physicist, software engineer, or business strategist with an interest in quantum technologies, read on to discover the latest funding updates and how you might get involved.

Jobs

Portfolio Projects That Get You Hired for Quantum Computing Jobs (With Real GitHub Examples)

From quantum chemistry simulations to error correction algorithms, quantum computing promises a revolutionary shift in how we solve complex problems. As companies and research institutions strive to harness this emerging technology, demand for professionals with hands-on quantum computing skills continues to rise. But how can you prove your abilities to prospective employers? A well-crafted quantum computing portfolio can be the difference-maker. In this guide, you’ll learn: Why building a quantum computing portfolio is essential. Which projects align with different quantum roles. Real GitHub examples that demonstrate best practices. Actionable project ideas you can start (or enhance) right now. Best ways to present and promote your quantum work—so it stands out to recruiters and hiring managers. Finally, we’ll share how you can connect your new portfolio to real quantum computing opportunities—starting with a reminder to upload your CV on QuantumComputingJobs.co.uk. Let’s dive in!

Jobs Careers

Quantum Computing Job Interview Warm‑Up: 30 Real Coding & System‑Design Questions

Quantum computing is at the forefront of disruptive innovation, promising exponential speed‑ups for certain classes of problems—from cryptography and materials science to optimisation and machine learning. As corporations, research labs, and start‑ups invest heavily in quantum R&D, the demand for quantum computing specialists continues to grow. If you’re considering or preparing for a quantum computing job interview, you can expect a dynamic blend of theoretical and practical questions: spanning physics, mathematics, algorithm design, quantum software, and hardware constraints. In this blog post, we’ll take you through 30 real coding & system‑design questions you might encounter when interviewing for quantum computing roles. We’ll also explain the importance of targeted preparation and share tips on presenting your experience in this cutting‑edge field. For those currently seeking quantum opportunities in the UK, visit www.quantumcomputingjobs.co.uk—a job board dedicated to connecting quantum specialists with exciting positions at research hubs, start‑ups, and major tech companies. Let’s start by exploring why interview readiness is so essential in the challenging and often abstract domain of quantum computing.

🍪 We use cookies to enhance your browsing experience on our website. By continuing to use this site, you consent to the use of cookies as described in our Cookie Policy. You can review our Cookie Policy for more information.