Computational Chemist & AI Engineer
Computational Chemist & AI Engineer

Computational Chemist & AI Engineer

Full-Time 36000 - 60000 £ / year (est.) No home office possible
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At a Glance

  • Tasks: Develop AI tools for drug discovery and collaborate with diverse teams.
  • Company: Join a cutting-edge tech company leading in scientific innovation.
  • Benefits: Enjoy flexible work options and access to advanced technologies.
  • Why this job: Make a real impact in life sciences while working on exciting AI projects.
  • Qualifications: MSc or PhD in relevant fields; strong programming skills, especially in Python.
  • Other info: Ideal for those passionate about translating research into practical solutions.

The predicted salary is between 36000 - 60000 £ per year.

A technology-driven company at the forefront of scientific innovation is seeking an AI Scientist with expertise in computational chemistry and applied machine learning to 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 implement cutting-edge AI algorithms, ensuring their integration into robust, production-grade platforms that enhance research efficiency.
  • Translate scientific and business goals into scalable and maintainable software solutions.
  • Own the full development lifecycle, from requirements gathering through to planning, coding, testing, and deployment.
  • Stay current on advancements in computational science and AI, applying relevant innovations to project work.

Core Qualifications

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

Preferred Experience

  • Expertise in one or more of the following areas:
  • Artificial Intelligence: Experience with GNNs, transformers, generative models, Gaussian processes, or reinforcement learning.
  • Cheminformatics: Familiarity with chemical data formats, reaction prediction, and tools such as RDKit or OpenEye.
  • Quantum Mechanics: Practical use of QM methods for synthesis prediction using tools like PSI4, Orca, or Gaussian.
  • Big Data: Experience curating and processing data from diverse sources; exposure to Apache Spark or Hadoop is beneficial.
  • Cloud Platforms: Proficiency with AWS, GCP, or Azure.
  • ML Frameworks: Hands-on with scikit-learn, TensorFlow, PyTorch, or related libraries.

Computational Chemist & AI Engineer employer: LinkedIn

As a leading technology-driven company in the heart of scientific innovation, we offer an exceptional work environment for Computational Chemists and AI Engineers. Our collaborative culture fosters creativity and growth, providing employees with opportunities to engage in transformative projects that directly impact drug discovery. With access to cutting-edge resources and a commitment to professional development, our team thrives in a dynamic setting that values both scientific excellence and personal advancement.
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Contact Detail:

LinkedIn Recruiting Team

StudySmarter Expert Advice 🤫

We think this is how you could land Computational Chemist & AI Engineer

✨Tip Number 1

Network with professionals in the computational chemistry and AI fields. Attend relevant conferences, webinars, or meetups to connect with industry experts and learn about potential job openings at companies like us.

✨Tip Number 2

Showcase your projects on platforms like GitHub. Highlight any AI algorithms or computational chemistry tools you've developed, as this will demonstrate your practical skills and passion for the field to us.

✨Tip Number 3

Stay updated on the latest advancements in AI and computational chemistry. Follow relevant journals, blogs, and social media accounts to engage with current trends and innovations that could be beneficial for your role with us.

✨Tip Number 4

Prepare to discuss how you can translate scientific goals into software solutions during interviews. Think of examples where you've successfully integrated technology into research, as this aligns with our mission at StudySmarter.

We think you need these skills to ace Computational Chemist & AI Engineer

Computational Chemistry
Machine Learning
AI Algorithm Design
Python Programming
C/C++ Programming
Java Programming
Data Science Collaboration
Software Development Lifecycle
Cheminformatics
Quantum Mechanics
Big Data Processing
Cloud Computing (AWS, GCP, Azure)
ML Frameworks (scikit-learn, TensorFlow, PyTorch)
Strong Communication Skills
Problem-Solving Skills
Adaptability to New Technologies

Some tips for your application 🫡

Tailor Your CV: Make sure your CV highlights your MSc or PhD in Computational Chemistry, Cheminformatics, Quantum Mechanics, or AI. Emphasise any relevant projects or experiences that demonstrate your impact in scientific or technical roles, particularly in life sciences or drug discovery.

Craft a Compelling Cover Letter: In your cover letter, express your passion for AI and computational chemistry. Discuss how your skills in programming, especially Python, and your experience with AI algorithms can contribute to the company's goals. Be specific about your collaborative mindset and how you can work with multidisciplinary teams.

Showcase Relevant Projects: Include examples of previous projects where you've applied machine learning or computational chemistry. Highlight any experience with tools like RDKit, PSI4, or cloud platforms such as AWS or GCP. This will demonstrate your hands-on expertise and ability to translate research into practical applications.

Prepare for Technical Questions: Anticipate technical questions related to AI algorithms, cheminformatics, and quantum mechanics during the interview process. Brush up on your knowledge of GNNs, transformers, and big data processing. Being well-prepared will help you articulate your ideas clearly to both technical and non-technical audiences.

How to prepare for a job interview at LinkedIn

✨Showcase Your Technical Skills

Be prepared to discuss your programming expertise, especially in Python. Highlight any projects where you've implemented AI algorithms or worked with cheminformatics tools, as this will demonstrate your hands-on experience and technical proficiency.

✨Communicate Clearly

Since the role requires articulating complex scientific ideas to both technical and non-technical audiences, practice explaining your past projects in simple terms. This will show that you can bridge the gap between science and business effectively.

✨Demonstrate Collaboration

Prepare examples of how you've successfully worked in multidisciplinary teams. Emphasise your ability to collaborate with data scientists, software engineers, and product teams, as this is crucial for integrating technologies into real-world solutions.

✨Stay Updated on Industry Trends

Research recent advancements in computational chemistry and AI. Being able to discuss current trends or innovations during your interview will show your passion for the field and your commitment to applying new knowledge to your work.

Computational Chemist & AI Engineer
LinkedIn
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  • Computational Chemist & AI Engineer

    Full-Time
    36000 - 60000 £ / year (est.)

    Application deadline: 2027-06-12

  • L

    LinkedIn

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