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New mathematical models for quantum chemistry

PGR-P-691

Key facts

Type of research degree
PhD
Application deadline
Friday 17 April 2020
Project start date
Thursday 1 October 2020
Country eligibility
UK and EU
Funding
Competition funded
Source of funding
Research council
Supervisors
Dr Vladimir Kisil and Professor Dmitry Shalashilin
Schools
School of Chemistry, School of Mathematics
<h2 class="heading hide-accessible">Summary</h2>

Understanding chemistry crucially relies on quantum mechanics and respective mathematical models. For example:

<h2 class="heading hide-accessible">Full description</h2>

<ul> <li>breaking and making of chemical bonds is a quantum process;</li> <li>quantum zero point energy has huge effect on chemical reaction dynamics;</li> <li>isotope effect in reaction rates can only be explained with the help of suitable mathematical models of quantum mechanics.</li> </ul> <p>Analytic or numeric treatment of these models for realistic systems with many degrees of freedom is one of the most challenging tasks of theoretical and computational chemistry and physics. A convenient approach uses Coherent States, very special quantum states, which can move in phase space closely following quantum wave functions. There are recent advances in mathematical theory, which suggest new type of Coherent States purposely tailored for specific problems. In particular, they can simplify the given Schr&ouml;dinger equation by reducing its order. This project aims to advance the new mathematical theory into a practical tool for analytical and numerical study of realistic models in chemistry and physics.</p>

<h2 class="heading">How to apply</h2>

<p>Formal applications for research degree study should be made online through the&nbsp;<a href="https://eps.leeds.ac.uk/maths-research-degrees/doc/apply">University&#39;s website</a>. Please state clearly in the research information section&nbsp;that the research degree you wish to be considered for is &ldquo;New mathematical models for quantum chemistry&rdquo; as well as&nbsp;<a href="https://eps.leeds.ac.uk/maths/staff/4048/dr-vladimir-v-kisil">Dr Vladimir Kisil</a> as your proposed supervisor.</p> <p>If English is not your first language, you must provide evidence that you meet the University&#39;s minimum English language requirements (below).</p> <p><em>We welcome applications from all suitably-qualified candidates, but UK black and minority ethnic (BME) researchers are currently under-represented in our Postgraduate Research community, and we would therefore particularly encourage applications from UK BME candidates. All scholarships will be awarded on the basis of merit.</em></p>

<h2 class="heading heading--sm">Entry requirements</h2>

Applicants to research degree programmes should normally have at least a first class or an upper second class British Bachelors Honours degree (or equivalent) in an appropriate discipline. The criteria for entry for some research degrees may be higher, for example, several faculties, also require a Masters degree. Applicants are advised to check with the relevant School prior to making an application. Applicants who are uncertain about the requirements for a particular research degree are advised to contact the School or Graduate School prior to making an application.

<h2 class="heading heading--sm">English language requirements</h2>

The minimum English language entry requirement for research postgraduate research study is an IELTS of 6.0 overall with at least 5.5 in each component (reading, writing, listening and speaking) or equivalent. The test must be dated within two years of the start date of the course in order to be valid.

<h2 class="heading">Funding on offer</h2>

<p><strong>UK/EU</strong>&nbsp;&ndash;&nbsp;Engineering &amp; Physical Sciences Research Council Studentship&nbsp;for 3.5 years. A full standard studentship consists of academic fees (&pound;4,600 in Session 2020/21), together with a maintenance grant (&pound;15,285 in Session 2020/21) paid at standard Research Council rates. UK applicants will be eligible for a full award paying tuition fees and maintenance. European Union applicants will be eligible for an award paying tuition fees only, except in exceptional circumstances, or where residency has been established for more than 3 years prior to the start of the course.&nbsp;Funding is awarded on a competitive basis.</p>

<h2 class="heading">Contact details</h2>

<p>For further information regarding the application procedure,&nbsp;please contact Doctoral College Admissions,<br /> e: <a href="mailto:maps.pgr.admissions@leeds.ac.uk">maps.pgr.admissions@leeds.ac.uk</a>, t: +44 (0)113 343 5700</p> <p>For further information regarding the project, please contact:<br /> Dr Vladimir Kisil, e: <a href="mailto:V.Kisil@leeds.ac.uk">V.Kisil@leeds.ac.uk</a>, t: +44 (0)113 343 5173<br /> Prof Dmitry Shalashilin, e: <a href="mailto:D.Shalashilin@leeds.ac.uk">D.Shalashilin@leeds.ac.uk</a>, t: +44 (0)113 343 7610</p>


<h3 class="heading heading--sm">Linked funding opportunities</h3>
<h3 class="heading heading--sm">Linked research areas</h3>