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Date: Sat Feb 24 11:42:42 2018
Subject: 18.02.24 PhD position in Computational Materials Chemistry (University of Liverpool, UK)
Applications are invited to join the Stephenson Institute for Renewable 
Energy, Department of Chemistry, University of Liverpool (UK) 
for a fully-funded 3.5-year PhD position in theory and computational 
screening of novel sustainable ferromagnets.

As recently observed [1-5], interfacial electronic hybridisation between 
a metal substrate and an organic material can be used to promote magnetism 
and ferromagnetic ordering between originally non-magnetic components, 
or enhance the magnetic descriptors of originally ferromagnetic 
substrates. The phenomenon is appealing because control and enhancement 
of magnetism in cheap and non-toxic materials such as light transition 
metals and organic semiconductors could provide more eco-friendly and 
sustainable alternatives to established and developmental technologies 
underpinned by magnetic properties e.g. spintronics, opto-spintronics, 
(portable) information storage, magnetic imaging and sensing, 
turbine power generation, etc.

By interplay between Density Functional Theory, micro-kinetics modelling, 
and parallel experimental investigations at the Department of Physics, 
University of Leeds (UK), the studentship aims to understand at the 
atomistic level the fundamentals of the phenomenon towards 
its optimisation and maximisation, sustaining rational development 
of a new class of eco-friendly light ferromagnets.

The successful applicant will join an international team 
with members in Liverpool (UK) and at the Beijing Computational 
Science Research Center (China), with possibilities of secondment 
in China. The theoretical research will benefit from parallel experimental 
investigations and close collaboration with the Department of Physics 
of the University of Leeds (Cespedes group).

Imaginative and highly motivated candidates are encouraged to apply.  
A degree (1st or 2.1st) in chemistry, materials science, physics or 
related subjects is required. Previous experience with application of 
Density Functional Theory, programming, or micro-kinetics models 
would be an advantage but is not essential.

The position is available from 1st October 2018 (some flexibility is 
possible). The studentship will cover full tuition fees and a 
maintenance grant for 3.5 years (currently 14,553 p.a.).

=== Eligibility. 
This is an EPSRC-funded position and as a result the position 
is primarily available to students resident in the UK. However, EPSRC 
also offers open eligibility to enable support of the very best students.
Thus, students with any passport from the EU area and an internationally 
competitive CV are not excluded from applying. They could be eligible 
on a competitive basis. 

Non-EU nationals are not eligible for this position and applications 
from non-EU candidates cannot be considered (unless they have their 
own funding).

For further information on eligibility requirements, please refer to 
the EPSRC website:

For informal enquiries about this position please contact 
Dr Gilberto Teobaldi (
To apply, please send a cover letter, a full CV (with degree exam marks), 
and contact details of at least two selected referees to 
Dr Gilberto Teobaldi ( 

Please submit your application as soon as possible. Applicants will be 
considered until the position is filled.

=== References
[1] M. Callsen et al., Magnetic hardening induced by nonmagnetic organic 
molecules, Phys. Rev. Lett. 111, 106805 (2013).

[2] F. Al MaMari et al., Beating the Stoner criterion using molecular 
interfaces, Nature 524, 69 (2015).

[3] K. V. Raman and J. S. Moodera, Materials chemistry: A magnetic 
facelift for non-magnetic metals, Nature 524, 42 (2015).

[4] F. Al MaMari et al., Emergent magnetism at transition-metal-
nanocarbon interfaces, Proc. Natl. Acad. Sci. U.S.A. 114, 5583 (2017).

[5] L. Martin-Olivera et al., Role of Metal Lattice Expansion and 
Molecular -Conjugation for the Magnetic Hardening at Cu-Organics 
Interfaces, J. Phys. Chem. C 121, 23777 (2017).
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