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Up Directory CCL 22.03.28 PhD studentship in Computational Chemistry, University College London, UK
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Date: Mon Mar 28 03:25:49 2022
Subject: 22.03.28 PhD studentship in Computational Chemistry, University College London, UK
A 3.5-year PhD studentship is available to work under the supervision of Prof Jochen Blumberger
at the Condensed Matter and Materials Physics Laboratory, University College London, UK. The
project involves the development and application of machine learning methods that enable a major
boost of the time and length scales accessible to ab-initio/first principles molecular dynamics
simulations. You will contribute to the development of novel work flows as well as to the
training, testing and application of latest neural network potential methodologies. Applications
will focus on the simulation of metal oxide/liquid water interfaces that are of relevance to
artificial photosynthesis and solar fuel production, decontamination of soil and geochemical
transformations. The simulations will uncover the solvation structure as well as the thermodynamics,
kinetics and mechanism of redox transformations at such interfaces. The detailed molecular
understanding will underpin the rational design of improved electrode materials for energy
applications. Access to high performance computing facilities will be provided.

Highly motivated students from Physics, Chemistry or Materials Science Departments are strongly
encouraged to apply for this post. The candidate should have, or be about to receive, an honours
degree (at least II.1 or equivalent) in Physics, Chemistry or a related subject. Good knowledge
in quantum mechanics and statistical mechanics is expected. Some experience with molecular simulation
and scripting languages (e.g. python) is a plus.

The start date of the studentship is 26. September 2022. The studentship will cover all university
fees and includes funds for maintenance at the standard UK rate and for participation in international
conferences and workshops. Due to funding restrictions, this studentship is open only to candidates
from the UK or from the EU with pre-settled status in the UK. Please refer to the following website
for eligibility criteria:

Please submit applications in the following format:

1. A personal statement (500 words maximum) outlining (i) your suitability for the project,
with reference to the criteria in the above person specification, (ii) your research experience to-date,
(iii) what you hope to achieve from the PhD.

2. A CV, including full details of all University course grades to date, and, if relevant, details on
scholarships, prizes and scientific papers published or in preparation.

3. Academic transcripts for undergraduate (Bachelor) and graduate (Master) studies.

4. Names, and email addresses of two academic or professional referees (at least one academic).

These four documents should be submitted as a single zip file to Jochen Blumberger, j.blumberger()
specifying in the subject line PhD application. The closing date for applications is 22. April 2022.
All applications received by this date will be considered. Applications received after this date may
be considered only if a suitable candidate has not been found by the above closing date.

Informal enquiries regarding the vacancy can be made to Jochen Blumberger, j.blumberger()

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