PhD Studentship: Machine Learning Accelerated Electronic Transport Calculations For Complex Materials
University of Warwick
About the project: Machine learning accelerated electronic transport calculations for complex materials Supervisor: Prof. Neophytos Neophytou, University of Warwick Advancements in materials synthesis have allowed the realization of many novel materials and their alloys, which are gradually finding their ways into numerous applications including energy, sustainability, medicine, novel computation, etc. A major direction of interest is their electronic properties, which are the major driver behind many applicatio...
About the project: Machine learning accelerated electronic transport calculations for complex materials Supervisor: Prof. Neophytos Neophytou, University of Warwick Advancements in materials synthesis have allowed the realization of many novel materials and their alloys, which are gradually finding their ways into numerous applications including energy, sustainability, medicine, novel computation, etc. A major direction of interest is their electronic properties, which are the major driver behind many applicatio...
Opportunity details
About the project: Machine learning accelerated electronic transport calculations for complex materials Supervisor: Prof. Neophytos Neophytou, University of Warwick Advancements in materials synthesis have allowed the realization of many novel materials and their alloys, which are gradually finding their ways into numerous applications including energy, sustainability, medicine, novel computation, etc. A major direction of interest is their electronic properties, which are the major driver behind many applications. However, the accurate assessment and prediction of electronic transport is a highly challenging task. The project uses Machine Learning (ML), in combination with DFT and state-of-the-art Boltzmann transport methods, to predict, accelerate, and scale the computation of electronic properties of complex materials and their alloys. These are materials with multiple bands of different nature in their electronic structures, formed with elements across the periodic table. The richness of experimental data from literature and project partners will aid towards model validation. 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,...
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
Neophytos Neophytou, University of Warwick Advancements in materials synthesis have allowed the realization of many novel materials and their alloys, which are gradually finding their ways into numerous applications including energy, sustainability, medicine, novel computation, etc. A major direction of interest is their electronic properties, which are the major driver behind many applications. 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.
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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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