University College London - Gower Street - London - WC1E 6BT

Interfaces: Catalytic & Environmental - ICE group
Home
Prof. Angelos Michaelides
Research
Outreach
People
Publications
Sponsors
Vacancies
Contact us


Yasmine S. Al-Hamdani

PhD Student

Yasmine S. Al-Hamdani

Contact details:

Office: Room 301, Kathleen Lonsdale Building, UCL
Tel: +44 (0) 20 7679 7909
Ext: 379 09
Fax: +44 (0) 20 7679 3356
Email:
Web: www.chem.ucl.ac.uk/ice/

Current research:

I am currently researching the doping of carbonaceous systems (e.g. benzene, graphene...) with boron nitride. In this way, the doping is isoelectronic and geometries are not significantly affected, yet the chemistry can be tuned. I am particularly interested in exploring the effects of boron nitride doping on the interactions with water; including binding and dissociation. Another important focus of my work is benchmarking DFT exchange correlation functionals for dispersion dominated systems using quantum chemical calculations (i.e. MP2 and CCSD(T)) and quantum Monte Carlo.

Publications:

  • "Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding" submitted.

Biography:

  • M.Res. Molecular Modelling and Materials Science (Distinction), University College London (2013)

  • M.Sci. Chemistry with Maths (1st Class), University College London (2012)

Ice Group logo

This page was last modified on 8 Aug, 2013 by Yasmine S. Al-Hamdani

 

 

University College London - Gower Street - London - WC1E 6BT - Telephone: +44 (0)20 7679 2000 - Copyright © 1999-2005 UCL

 


Search by Google