PhD Studentship: Generative AI-enabled Molecular Design for Optoelectronic Applications
University of Warwick
About the project: Generative AI-enabled Molecular Design for Optoelectronic Applications Supervisor: Dr Zsuzsanna Koczor-Benda, University of Warwick Molecular optoelectronic devices have a high potential in ultrasensitive detection, nanoscale electronics, and medical imaging, but finding promising molecules for these applications is challenging because exceptional optical and electronic performance needs to be balanced with stability and ease of synthesis. Current AI tools can explore vast chemical spaces but...
About the project: Generative AI-enabled Molecular Design for Optoelectronic Applications Supervisor: Dr Zsuzsanna Koczor-Benda, University of Warwick Molecular optoelectronic devices have a high potential in ultrasensitive detection, nanoscale electronics, and medical imaging, but finding promising molecules for these applications is challenging because exceptional optical and electronic performance needs to be balanced with stability and ease of synthesis. Current AI tools can explore vast chemical spaces but...
Opportunity details
About the project: Generative AI-enabled Molecular Design for Optoelectronic Applications Supervisor: Dr Zsuzsanna Koczor-Benda, University of Warwick Molecular optoelectronic devices have a high potential in ultrasensitive detection, nanoscale electronics, and medical imaging, but finding promising molecules for these applications is challenging because exceptional optical and electronic performance needs to be balanced with stability and ease of synthesis. Current AI tools can explore vast chemical spaces but often suggest molecules that are unstable or hard to make. This project develops a generative AI framework that utilizes machine learning predictions and quantum chemistry simulations to design stable, synthesizable, high-performance molecules. The framework will integrate multi-objective optimisation and multi-fidelity active learning, creating a practical route to discovering new molecules for optoelectronic devices. About HetSys: Harnessing Data, Modelling and Simulation for Real‑World Impact HetSys (Centre for Doctoral Training in Modelling of Heterogeneous Systems) at the University of Warwick is an innovative, interdisciplinary fully funded PhD programme that brings together science, engineering, and mathematics to tackle some of the most pressing challenges of our time. Big Questions, Real Impact – From climate modelling and sustainable energy to advanced materials and biomedical systems, HetSys projects apply cutting‑edge computational and mathematical techniques to problems with global significance. Interdisciplinary Training – Students gain expertise across physics, engineering, computer science, and applied mathematics, developing versatile skills that open doors to both academia and industry. Collaborative Environment – Work alongside leading resea...
Eligibility
Interdisciplinary Training – Students gain expertise across physics, engineering, computer science, and applied mathematics, developing versatile skills that open doors to both academia and industry. Future‑Focused Careers – HetSys graduates are equipped with highly sought‑after skills in modelling, simulation, and data science, preparing them for impactful careers in research, technology, and beyond.
Requirements
Interdisciplinary Training – Students gain expertise across physics, engineering, computer science, and applied mathematics, developing versatile skills that open doors to both academia and industry. Future‑Focused Careers – HetSys graduates are equipped with highly sought‑after skills in modelling, simulation, and data science, preparing them for impactful careers in research, technology, and beyond.
Funding and benefits
Funding eligibility: UK Students. Funding amount: Awards for UK applicants cover full University fees, give a research training budget and a tax-free stipend to cover living costs (standard UKRI rate £21,805 in 26/27 - equivalent to national living wage).
How to apply
About the project: Generative AI-enabled Molecular Design for Optoelectronic Applications Supervisor: Dr Zsuzsanna Koczor-Benda, University of Warwick Molecular optoelectronic devices have a high potential in ultrasensitive detection, nanoscale electronics, and medical imaging, but finding promising molecules for these applications is challenging because exceptional optical and electronic performance needs to be balanced with stability and ease of synthesis. Big Questions, Real Impact – From climate modelling and sustainable energy to advanced materials and biomedical systems, HetSys projects apply cutting‑edge computational and mathematical techniques to problems with global significance.
Open the official application information
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Benefits
Funding eligibility: UK Students. Funding amount: Awards for UK applicants cover full University fees, give a research training budget and a tax-free stipend to cover living costs (standard UKRI rate £21,805 in 26/27 - equivalent to national living wage).
Eligibility summary
Interdisciplinary Training – Students gain expertise across physics, engineering, computer science, and applied mathematics, developing versatile skills that open doors to both academia and industry. Future‑Focused Careers – HetSys graduates are equipped with highly sought‑after skills in modelling, simulation, and data science, preparing them for impactful careers in research, technology, and beyond.
Requirements
Interdisciplinary Training – Students gain expertise across physics, engineering, computer science, and applied mathematics, developing versatile skills that open doors to both academia and industry. Future‑Focused Careers – HetSys graduates are equipped with highly sought‑after skills in modelling, simulation, and data science, preparing them for impactful careers in research, technology, and beyond.
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