Computational Chemist & AI Engineer
Computational Chemist & AI Engineer

Computational Chemist & AI Engineer

Nottingham 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 tech-driven company leading in scientific innovation.
  • Benefits: Enjoy flexible work options and cutting-edge projects.
  • Why this job: Be part of transformative AI projects that impact healthcare.
  • Qualifications: MSc or PhD in relevant fields; strong programming skills required.
  • Other info: Ideal for those passionate about translating research into real-world 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.
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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 potential collaborators. This can help you gain insights into the latest trends and possibly lead to job referrals.

✨Tip Number 2

Showcase your projects and expertise on platforms like GitHub or LinkedIn. Highlight any relevant work you've done in AI, machine learning, or computational chemistry. This not only demonstrates your skills but also makes it easier for us to see your practical experience.

✨Tip Number 3

Stay updated on the latest advancements in AI and computational chemistry. Follow key publications, blogs, and influencers in the field. Being knowledgeable about current trends will help you engage in meaningful conversations during interviews and show your passion for the subject.

✨Tip Number 4

Prepare to discuss how you can translate scientific goals into practical applications. Think of examples from your past experiences where you've successfully implemented AI solutions in research settings. This will demonstrate your ability to bridge the gap between science and technology.

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

Computational Chemistry
Machine Learning
Artificial Intelligence
Programming in Python
C/C++ or Java Programming
Data Science Collaboration
Software Development Lifecycle
Algorithm Design and Implementation
Cheminformatics Knowledge
Quantum Mechanics Applications
Big Data Processing
Cloud Computing (AWS, GCP, Azure)
ML Frameworks (scikit-learn, TensorFlow, PyTorch)
Strong Communication Skills
Project Management

Some tips for your application 🫡

Tailor Your CV: Make sure your CV highlights your MSc or PhD in Computational Chemistry, Cheminformatics, 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 in drug discovery.

Showcase Relevant Projects: Include specific examples of previous projects where you applied machine learning or computational chemistry techniques. Highlight your role in these projects and the outcomes achieved, especially if they relate to AI advancements or drug discovery.

Demonstrate Communication Skills: Since strong communication is key for this role, ensure your application reflects your ability to articulate complex scientific ideas clearly. Use straightforward language and avoid jargon where possible, making it accessible 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 your ability to bridge the gap between science and business effectively.

✨Demonstrate Collaboration

Prepare examples of how you've successfully worked in multidisciplinary teams. Emphasise your collaborative mindset and how you’ve contributed to integrating technologies into real-world solutions, as teamwork is crucial for this position.

✨Stay Updated on Industry Trends

Research recent advancements in computational chemistry and AI. Being able to discuss current trends or innovations during the interview will reflect your passion for the field and your commitment to staying at the forefront of scientific discovery.

Computational Chemist & AI Engineer
LinkedIn
Location: Nottingham
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  • Computational Chemist & AI Engineer

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

    LinkedIn

    1001-5000
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