Quantum Mechanics (computational chemistry) PhD Projects, Programmes & Scholarships

We have 13 Quantum Mechanics (computational chemistry) PhD Projects, Programmes & Scholarships

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PhD Studentship in Understanding non-equilibrium dynamics using Quantum dynamics

Newcastle University School of Natural and Environmental Sciences

Award summary . 100% of home fees covered, and a minimum tax-free annual living allowance of £19,237 (2024/25 UKRI rate). . Read more

Supervisor: Prof T J Penfold

25 April 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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Accurate and Efficient Modelling of X-ray Spectra for the Nuclear Fuel Cycle

The University of Manchester Department of Chemistry

Leading nations are transitioning to renewable energy and reducing carbon emissions with a major focus on increasing resource efficiency and sustainability. Read more

Supervisors: Dr M Oakley, Dr M Baker

26 April 2024 PhD Research Project Competition Funded PhD Project (Students Worldwide)

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Defining the state-of-the-art in X-ray and electron spectroscopies for discerning the characteristic electronic structure of actinide materials

The University of Manchester Department of Chemistry

An EPSRC centre for doctorial training sponsored PhD studentship is available to undertake research in the field of actinide X-ray and electron spectroscopy in a collaborative project between AWE and two research groups at the University of Manchester. Read more

Supervisors: Dr M Baker, Dr R Harrison

Year round applications PhD Research Project Competition Funded PhD Project (UK Students Only)

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Computational design of novel battery materials with cutting-edge techniques

King’s College London School of Natural & Mathematical Sciences

Applications are invited to apply for a PhD studentship in the Theory and Simulation of Condensed Matter (TSCM) Group at King’s College London, in the computational design of next-generation battery materials, working in partnership with experimental colleagues in the cross-disciplinary ‘Net Zero Centre’. Read more

Supervisors: Dr JT Tomczak, Dr G Booth, Dr LL Lander

1 May 2024 PhD Research Project Competition Funded PhD Project (Students Worldwide)

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Antimatter Chemistry: computational studies of matter-antimatter interactions

Aberdeen University School of Natural and Computing Sciences

These projects are open to students worldwide, but have no funding attached. Therefore, the successful applicant will be expected to fund tuition fees at the relevant level (home or international) and any applicable additional research costs. Read more

Supervisors: Dr M Law, Dr W T A Harrison

Year round applications PhD Research Project Self-Funded PhD Students Only

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Application of Linear-Scaling Quantum Mechanics Methods to Hydrogen Transport Through Complex Materials

University of Southampton Faculty of Engineering and Physical Sciences

Supervisory Team. Chris-Kriton Skylaris (80%) Jeremy Frey (20%). Project Description. The computational simulation of chemical reactions in materials requires an accurate, explicit description of their electrons. Read more

Supervisor: Prof C K Skylaris

31 August 2024 PhD Research Project Competition Funded PhD Project (UK Students Only)

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Property-driven generative machine learning for tailored materials design

University of Warwick Department of Chemistry

A fully funded 4-year PhD project in property-driven generative machine learning for tailored materials design is available with a flexible 2023-2024 start date. Read more

Supervisor: Dr R J Maurer

17 May 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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Pushing the scale boundaries for degradation simulations of industrially relevant materials

University of Southampton Chemistry

Supervisory Team: Chris-Kriton Skylaris. Project description. The computational simulation of chemical reactions in materials requires an accurate, explicit description of their electrons. Read more

Supervisor: Prof C K Skylaris

1 August 2024 PhD Research Project Competition Funded PhD Project (UK Students Only)

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Application of Linear-Scaling Quantum Mechanics Methods to Hydrogen Transport Through Complex Materials

University of Southampton Faculty of Engineering and Physical Sciences

Density Functional Theory (DFT) calculations are typically limited to tens of atoms due to the steep increase of the computational effort with the number of atoms. Read more

Supervisor: Prof C K Skylaris

31 August 2024 PhD Research Project Competition Funded PhD Project (UK Students Only)

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Theoretical Breakthroughs in Quantum Science: PhD Opportunity in Ion and Electron Trapping at Charles University, Prague

Charles University Faculty of Mathematics and Physics

Dive into Quantum Frontiers 🌌. PhD Opportunity in Trapping and Cooling of Ions and Electrons at Charles University, Prague!🔬✨. We are offering a position of a PhD student in the theoretical part of an original and innovative project studying cold trapped ions and electrons (research group of Dr. Read more

Supervisor: Dr MT Tarana

29 April 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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Multiple PhD Positions at the International Max Planck Research School (IMPRS) for Quantum Dynamics and Control (QDC) in Dresden, Germany

Max Planck Institute for the Physics of Complex Systems

We are looking for highly talented and motivated students from all around the world. The standard. entrance qualification is a master's degree (or an equivalent university degree, e.g., German “Diplom”). Read more

Awaiting Funding Decision/Possible External Funding Max Planck Research Programme

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Quantum algorithm development for correlated electrons

King’s College London Department of Physics

Project Description . Applicants are invited to apply for a PhD project in the development of quantum computing algorithms for correlated electrons. Read more

Supervisors: Dr G Booth, Dr J Bhaseen

Year round applications PhD Research Project Funded PhD Project (Students Worldwide)

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Atomistic simulations of condensed matter under extreme conditions

University of Salford School of Science, Engineering and Environment

Information on this PhD research area can be found further down this page under the details about the Widening Participation Scholarship given immediately below. Read more

Supervisor: Prof I Morrison

Year round applications PhD Research Project Self-Funded PhD Students Only

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We have 13 Quantum Mechanics (computational chemistry) PhD Projects, Programmes & Scholarships

Quantum Mechanics (computational chemistry) PhD Projects, Programmes & Scholarships

We have 13 Quantum Mechanics (computational chemistry) PhD Projects, Programmes & Scholarships

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