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Dmitry Shalashilin

Professor of Computational Chemistry

"My research interests are focused on computational methods of quantum and classical mechanics and their applications. The goal is to develop more efficient numerical methods for simulations in chemistry. "
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Physical chemistry

Physical Chemistry

The members of the Physical Chemistry section are interested in fundamental studies of elementary and complex chemical reactions and their applications in various areas such as atmospheric chemistry, combustion, coherent control, biological processes and planetary atmospheres.

The fourteen research groups cover a broad range of basic and applied research, involving experimentalists and theoreticians. There are currently about 60 members of the section - 14 faculty members (of whom three are Research Fellows); 19 postdoctoral fellows; and 27 PhD students.

The Physical Chemistry section has programme of internal seminars on a Monday evening, the details are here in a spreadsheet

The four major research themes in the section are:

Atmospheric chemistry
Leeds is unique in the UK in the breadth of its research in atmospheric chemistry. Contributions range from field measurements (from the Earth's surface to the edge of space), computer modelling and laboratory kinetics/photochemistry. This group also studies the atmospheres of other solar system bodies, and is starting to work on chemistry in the interstellar medium [Dwayne Heard, Mike Pilling, John Plane and Paul Seakins].

Chemical Kinetics
Leeds scientists measure rate coefficients and branching ratios over a wide range of conditions relevant to combustion and planetary atmospheres. This work is complemented by theoretical treatments, for example the Master Equation and quantum calculations. New non-linear mathematical models for complex phenomena - travelling waves, oscillations and chaos - have also been developed [Dwayne Heard, Mike Pilling, John Plane, Steve Scott, Paul Seakins and Annette Taylor]

Coherent control and theoretical chemistry
The UK 's first experimental molecular coherent control group was established in Leeds. Other work includes the stereodynamics of individual collisions, new quantum dynamics methods for systems with many degrees of freedom, the modelling of normal and aberrant self-assembly in biological systems and how we can functionalise them as nanomaterials. [Stefan Auer, Marcelo de Miranda, Mike Nix, Dmitry Shalashilin and Ben Whitaker].

Complex molecular systems
Self-assembly of peptides in multiple dimensions; hydrogels, organogels, and nematic liquid crystals; fast biological processes; templated materials, molecular imprinting and nanoporous materials; new analytical separations techniques; modified electrodes for sensors and (photo)electrochemistry, nucleic acid conformation, biofluid analysis, metabolomics [Amalia Aggeli, Richard Ansell, Godfrey Beddard, Julie Fisher, Gavin Reid and Dmitry Shalashilin].