Local

Lunchtime Get-Together - January 2016

Friday 22nd January 2016
Time: 1pm
Venue: Nyholm Room, Department of Chemistry, UCL
Contact: TYC Administrator
Tel: +44 (0)20 7679 9950

TYC@UCL Lunchtime Get-Togethers consist of a short presentation and posters being shown over lunch and drinks.

These event are a great opportunity to meet other researchers, socialise with friends and colleagues, and listen to TYC members or visitors talk about their research.

Food and drink will be provided so please just bring yourselves! 

This month's presentation will be:


Dr Mika Niskanen, Department of Physics, Imperial College London

Optimally tuned long range corrected density funtionals - obtaining accurate excitation energies for conjugated oligomers and polymers

Non-empirically tuned long range corrected density funtionals are increasingly popular for studying excited state and its properties. In these functionals the range separation parameter "omega" is tuned for each studied system separately. In practice the difference between the negative of highest occipied molecular orbital (HOMO) energy and the vertical ionization potential (IP) is minimized. The methodology has been succesfully applied to numerous small molecules.

In this presentation I will give a short introduction to the method, show how the tuning is done in practice and present results from my work to show how close to experimental results we can get in case of conjugated materials.

Short bio: Dr. Niskanen is currently a visiting researcher at Imperial College London in Experimental Solid State Physics group in Department of Physics. He got his Ph.D. degree in Physical Chemistry from University of Eastern Finland and was previously a postdoctoral researcher at Tampere University of Technology, Finland.

His current reseach interests include quantum mechanical modelling of photoactive materials, interfaces in photoactive devices, and novel inorganic materials.

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