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- Tasks: Lead innovative computational chemistry projects to accelerate drug discovery.
- Company: Aqemia is a cutting-edge pharmatech revolutionising drug discovery with AI and quantum physics.
- Benefits: Enjoy remote work options, competitive salary, and the chance to make a real-world impact.
- Why this job: Join a dynamic team at the forefront of AI and drug discovery, shaping the future of healthcare.
- Qualifications: PhD in Computational Chemistry or related field with 10+ years of industry experience required.
- Other info: Work from central Paris or London with a flexible remote work policy.
The predicted salary is between 60000 - 84000 £ per year.
Join to apply for the Principal Computational Chemist role at AQEMIA
Join to apply for the Principal Computational Chemist role at AQEMIA
About Aqemia
Aqemia is a next-generation pharmatech reinventing drug discovery with quantum-inspired physics and generative AI.
About Aqemia
Aqemia is a next-generation pharmatech reinventing drug discovery with quantum-inspired physics and generative AI.
Our mission: design innovative small-molecule drug candidates for dozens of critical diseases, faster and smarter, without relying on experimental data.
Unlike traditional approaches, Aqemia starts drug discovery purely in silico. By combining physics-based models with large language models trained on proprietary data, we identify promising molecules with high accuracy before synthesis.
We’ve already delivered multiple preclinical successes and secured strategic partnership. Our internal pipeline is growing fast, with several programs in in vivo optimization.
We’re a team of 65+ based in Paris and London, we bring together chemists, physicists, engineers, and machine learning experts to push the boundaries of what’s possible in early-stage drug discovery.
About The Team You’ll Join
As a Principal Computational Chemist, you will join Aqemia’s Drug Discovery Platform Teams and lead efforts to develop cutting-edge computational chemistry pipeline to scale and accelerate drug discovery. You will collaborate closely with computational chemists, AI researchers and drug discovery experts to integrate your innovations into Aqemia’s platform, ensuring direct impact on the discovery of novel therapeutics.
About The Role
We are seeking a Principal Computational Chemist, the most senior individual contributor rank at Aqemia. This role is designed for a scientist at the state of the art of their field, with deep expertise and a strong track record of impactful contributions. The Principal Computational Chemist will oversee complex scientific projects, mentor scientists, and actively shape our scientific roadmap.
This means you will:
Be a Technical Leader – Drive the development of cutting-edge computational chemistry methodologies for molecular modeling and drug discovery.
Mentor and Support the Team – Act as a scientific and technical mentor to junior and mid-level researchers, fostering innovation and knowledge-sharing within the team.
Bridge Research and Application – Work closely with interdisciplinary teams (computational chemistry, AI and drug discovery experts) to translate computational chemistry research into real-world impact.
Your Role
- Lead research initiatives to develop and apply novel computational chemistry methods to virtual screening, hit optimisation and lead optimisation
- Design and implement advanced computational chemistry techniques, including protein ligand complex generation
- Collaborate with interdisciplinary teams, including computational chemists, AI Research scientists, physicists, data scientists and medicinal chemists
- Mentor and guide junior researchers and engineers, fostering a culture of scientific innovation and excellence
Polite note: this position does not involve manual compound design in Drug Discovery Programs.
Your Profile
- Strong problem-solving skills, autonomy and a collaborative mindset
- PhD in Computational Chemistry, Biophysics, Statistical Mechanics, or a related field
- Extensive experience (10+ years) in computational chemistry and drug discovery including 5 years in the drug discovery industry
- Recognised expertise in molecular modeling, complex generation, protein-ligand interactions, free energy calculations, virtual screening, ADME properties and related areas
- Strong knowledge of uncertainty quantification and its application in molecular design
- Proven ability to deliver impactful scientific contributions at the forefront of the field
- Experience mentoring and guiding scientists in a collaborative, high-performance environment
- Proficiency in programming (e.g., Python) and experience with industry-standard computational chemistry tools
Preferred Mindset
At Aqemia, we believe that great science thrives in the right mindset and culture. We are looking for candidates who embody the following principles:
Pragmatic and Impact-Driven – Focused on delivering solutions that work in real-world applications, balancing scientific rigor with practical usability.
Eagerness to Learn – A strong curiosity for scientific advancements and a willingness to continuously expand your expertise.
Love for High Scientific Challenges – Enthusiasm for tackling complex problems at the frontier of AI and drug discovery.
Team-Oriented – A collaborative spirit, thriving in an interdisciplinary environment.
Humility – Open to feedback and different perspectives, always striving for improvement.
Aqemia’s Recruitment team leads all recruitment activities for the company. We will not recognise any notional ownership recruitment companies claim over candidates presented directly to hiring managers without our Recruitment team\’s consent. Unsolicited resumes sent to us from recruiters do not constitute any type of relationship between the recruiter and Aqemia, and we will not be obligated to pay fees should we hire from those resumes.
Why Join Us
At Aqemia, engineers don’t just build software, they help discover real drugs.You’ll work at the intersection of AI, physics and chemistry, transforming bold scientific ideas into robust, production-grade tools that accelerate discovery.
DeepTech Mission : Build the platform that powers AI-driven drug discovery, combining quantum-inspired physics with generative models
Real-World Impact : Every feature shipped helps scientists prioritize molecules and design better candidates, faster
Modern Stack & Challenges : Python, FastAPI, Airflow, Snowflake, Kubernetes, ML workflows, scientific infra, data engineering at scale
High Ownership, High Impact : Engineers contribute to architecture, tooling, and scientific decision-making
Interdisciplinary Team : Collaborate with chemists, physicists, ML researchers, and product teams
Prime Locations : Central Paris or London offices, with 2 remote days/week
Strategic Traction : Backed by $100M in funding and a $140M partnership with Sanofi
Join us if you’re excited to shape the future of AI-driven drug discovery, and want your code to change the course of real diseases.
Seniority level
-
Seniority level
Not Applicable
Employment type
-
Employment type
Full-time
Job function
-
Job function
Research, Analyst, and Information Technology
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Principal Computational Chemist employer: Aqemia
Contact Detail:
Aqemia Recruiting Team
StudySmarter Expert Advice 🤫
We think this is how you could land Principal Computational Chemist
✨Tip Number 1
Familiarise yourself with the latest advancements in computational chemistry and drug discovery. Being well-versed in current methodologies and technologies will not only boost your confidence but also demonstrate your commitment to the field during discussions.
✨Tip Number 2
Network with professionals in the industry, especially those who work at Aqemia or similar companies. Engaging in conversations about their experiences can provide valuable insights and potentially lead to referrals.
✨Tip Number 3
Prepare to discuss your previous projects in detail, particularly those that showcase your problem-solving skills and ability to mentor others. Highlighting specific examples will help you stand out as a candidate who can lead and inspire.
✨Tip Number 4
Showcase your programming skills, particularly in Python, by working on relevant projects or contributing to open-source initiatives. This practical experience can set you apart and demonstrate your technical capabilities to the hiring team.
We think you need these skills to ace Principal Computational Chemist
Some tips for your application 🫡
Tailor Your CV: Make sure your CV highlights your extensive experience in computational chemistry and drug discovery. Focus on your technical leadership roles, mentoring experience, and any impactful contributions you've made in the field.
Craft a Compelling Cover Letter: In your cover letter, express your passion for drug discovery and how your skills align with Aqemia's mission. Mention specific methodologies or projects that demonstrate your expertise and how you can contribute to their innovative approach.
Showcase Relevant Projects: Include examples of complex scientific projects you've overseen or contributed to, particularly those involving molecular modelling, protein-ligand interactions, or virtual screening. This will illustrate your hands-on experience and problem-solving skills.
Highlight Collaborative Experience: Emphasise your ability to work in interdisciplinary teams. Provide examples of how you've successfully collaborated with AI researchers, physicists, or other chemists to bridge research and application in drug discovery.
How to prepare for a job interview at Aqemia
✨Showcase Your Expertise
As a Principal Computational Chemist, it's crucial to demonstrate your deep expertise in computational chemistry and drug discovery. Prepare to discuss your past projects, focusing on impactful contributions and methodologies you've developed. Be ready to explain complex concepts in a way that highlights your understanding and ability to communicate effectively with interdisciplinary teams.
✨Emphasise Collaboration
Aqemia values teamwork, so be sure to highlight your collaborative experiences. Discuss how you've worked with AI researchers, physicists, and other chemists in the past. Share specific examples of how you bridged research and application, translating scientific findings into real-world solutions.
✨Prepare for Technical Questions
Expect technical questions related to molecular modelling, protein-ligand interactions, and virtual screening. Brush up on your knowledge of uncertainty quantification and its applications in molecular design. Being able to answer these questions confidently will showcase your readiness for the role.
✨Demonstrate a Growth Mindset
Aqemia looks for candidates who are eager to learn and open to feedback. During the interview, express your curiosity about scientific advancements and your willingness to expand your expertise. Share instances where you've embraced challenges and sought improvement, as this aligns with their preferred mindset.
