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Computational Chemistry and Chemical Physics

PGR-RA-106

Expertise of research area
computation; energy transfer; Kinetics and Mechanism; lasers; molecular dynamics; Pump probe; terahertz spectroscopy; theoretical chemistry; Ultrafast spectroscopy


<h2 class="heading hide-accessible">Summary</h2>

At its most fundamental, chemistry is the ‘art’ of transforming one molecule into another. This research group builds on the foundations laid by physicists and chemists in the 20th century, by striving to understand and control atomic and molecular motion in chemical reactivity.

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

<p>Modern experimental probes, such as velocity map imaging and femtosecond spectroscopy, have been developed that allow exquisitely detailed probing of chemical reactions involving a small number of atoms with quantum state resolution and temporal resolution on the natural timescale of bond breaking.</p> <p>Novel computational and analytical methods for quantum dynamics are an equally important part of our work, complementing and often driving the experimental programme. Our long term research goals are to apply this knowledge to the study of much more complicated reactions and processes, building links with biology and quantum physics, as well as atmospheric and astrophysical chemistry.</p> <h5>Our work divides into two main areas:</h5> <ul> <li>Computational chemistry</li> <li>Experimental chemical physics</li> </ul> <p>Find out more about our <a href="http://physicalsciences.leeds.ac.uk/info/53/our_research/60/colour_and_polymer_science">research and expertise</a>.</p> <h5>Facilities</h5> <ul> <li>Femtosecond, picosecond and nanosecond laser sources, from the IR to the deep UV</li> <li>Molecular beam instruments and velocity map imaging spectrometers</li> <li>Amplitude and phase shapers for coherent control experiments</li> <li>Dedicated computational resources and access to large multiprocessor facilities</li> </ul> <h5>Links with industry</h5> <p>Our engagement with industry is well developed, if specialised, through EU collaborations involving SMEs across Europe engaged in developing detector and laser technologies. Also, our research overlaps strongly with the Atmospheric and Planetary Chemistry research group and with the Topological Quantum Information and Molecular and Nanoscale groups in physics. We also have a number of long standing international collaborations with researchers in Europe and the USA.</p> <h5>For queries relating to your research proposal or subject area, please contact the individual supervisors listed below:</h5> <ul> <li><a href="https://eps.leeds.ac.uk/chemistry/staff/4211/dr-andrew-burnett">Andrew Burnett</a></li> <li><a href="https://eps.leeds.ac.uk/chemistry/staff/5288/dr-arend-g-dijkstra">Arend Dijkstra</a></li> <li><a href="https://eps.leeds.ac.uk/chemistry/staff/4188/dr-marcelo-miranda">Marcelo Pessoa de Miranda</a></li> <li><a href="https://eps.leeds.ac.uk/chemistry-computational/staff/4601/professor-steve-scott">Stephen Scott</a></li> <li><a href="https://eps.leeds.ac.uk/chemistry/staff/4197/professor-dmitry-shalashilin">Dmitry Shalishilin</a></li> <li><a href="https://eps.leeds.ac.uk/chemistry/staff/4186/professor-ben-whitaker">Ben Whitaker</a></li> </ul> <h3>Useful links and further reading:</h3> <ul> <li><a href="https://eps.leeds.ac.uk/chemistry-research-degrees">Research degrees within the School of Chemistry</a></li> <li><a href="https://eps.leeds.ac.uk/chemistry-research-groups/doc/computational-chemistry-chemical-physics">Computational Chemistry and Chemical Physics group</a></li> <li><a href="https://eps.leeds.ac.uk/chemistry-research-innovation">School of Chemistry,&nbsp;Research and Innovation</a></li> </ul> <h3>Leeds Doctoral College</h3> <p>Our <a href="https://www.leeds.ac.uk/info/130558/leeds_doctoral_college">Doctoral College</a> supports you throughout your postgraduate research journey. It brings together all the support services and opportunities to enhance your research, your development, and your overall experience.</p>

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

<p>Formal applications for research degree study should be made online through the <a href="http://www.leeds.ac.uk/info/130206/applying/91/applying_for_research_degrees">University&#39;s website</a>.</p>

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

<p>For general enquiries and details regarding the application process, please contact the Graduate School Office:<br /> e:&nbsp;<a href="mailto:maps.pgr.admissions@leeds.ac.uk">maps.pgr.admissions@leeds.ac.uk</a>, t: +44 (0)113 34 35057</p>


<h2 class="heading heading--sm">Linked project opportunities</h2>
<h2 class="heading heading--sm">Linked funding opportunities</h2>