Environment from the Molecular Level

A NERC eScience testbed project

Zhimei Du

I have been involved in UK e-minerals project since October 2002. My role is to do some scientific researches incorporated with GRID technologies developed by the team members.

Contact details:

Address: School of Crystallography
Birkbeck College
University of London
Malet Street
London WC1E 7HX
Department web page
Email: z.du@mail.cryst.bbk.ac.uk
Telephone: 0207 6797465
Fax: 0207 6316803

Background notes:

I am from China's biggest city Shanghai. I graduated from East China University of Science and Technology with a BSc degree in chemical engineering. I then obtained a MEng in chemical engineering, also from ECUST. I started to do my PhD in School of Applied Science, South Bank University London in October 1996. My PhD study focused on Monte Carlo simulation and theoretical study of hydrocarbon adsorption in zeolites. After my PhD, I went to School of Chemistry, University of Bristol, worked as a PDRA. My study was mainly concerned with computer simulation of incorporation of noble gases in minerals and the partitioning behavior of noble gases between minerals and melts at high temperatures and pressures. I then joined the e-minerals project in October 2002. At moment I am based in School of Crystallography, Birkbeck College, University of London.My work mainly focus on the effect of hydration on reactivity and stability of silicate materals. So far, I have been working on four projects:

(1) Study the adsorption of water at two a-quartz (0001) surfaces using density functional theory as well as interactomic potential based simulations.
(2) The influence of water on the reactivity and stability of a silicate nano-tube.
(3) A series of Molecular Dynamics (MD) simulations incorporated with the UCL Condor pool to study the effect of temperature on the hydration of silicate materials.
(4) Investigate the effect of cation distributions on the structures of a series of silicate materials, which also incorporated with Condor pool.

Photograph of Martin Dove

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