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Publisher
source

University of Liverpool

Mitigating Synthesisability Loss in 3D Generative Models University of Liverpool in United Kingdom

Degree Level

PhD

Field of study

Computer Science

Funding

Full funding available

Deadline

Aug 31, 2026

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Country

United Kingdom

University

University of Liverpool

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Keywords

Computer Science
Chemistry
Mechanical Engineering
Structural Biology
Artificial Intelligence
Computational Chemistry
Software Engineering
Automation
Chemical Synthesis
Robotics
Polymer Science
Machine learning

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About this position

This PhD project at the University of Liverpool, Department of Chemistry, addresses a fundamental challenge in modern drug discovery: can artificial intelligence design molecules that are both novel and practically synthesizable? The research will combine advanced 3D generative modelling, structural informatics, and chemical insight to develop new approaches for molecular design, focusing on the interface between AI, synthesis, and automation.

Students will be trained in computational chemistry, artificial intelligence, and automation, gaining expertise in machine learning, molecular design, and robotics. The project is highly interdisciplinary, drawing on research areas such as software engineering, mechanical engineering, and polymer science. Supervisors Dr A Bradley, Dr G Pizzuto, and Dr JW Ward will provide guidance and support throughout the research.

Applicants should have a strong academic background in chemistry, computer science, or a related field, with experience in computational modelling, AI, or molecular design considered highly desirable. A first or upper second class undergraduate degree (or equivalent) is typically required. Proficiency in English is expected, though specific language test requirements are not detailed.

Funding details are not specified in the position description. The application deadline is 31 August 2026. Interested candidates should apply online via the FindAPhD project link, submitting a CV, academic transcripts, and a cover letter. For further information, applicants are encouraged to contact the supervisors.

Funding details

Full funding including tuition fees and living expenses is available for this position. The scholarship covers all educational costs and provides a monthly stipend.

How to apply

Please submit your application including a cover letter, CV, academic transcripts, and contact information for two references. Applications should be sent via the online portal before the deadline.

More information can be found here

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