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Erlend Davidson

PhD Student

Erlend Davidson

Contact details:

Office: Room 301, Kathleen Lonsdale Building, UCL
Tel: +44 (0) 20 7679 7909
Ext: 37909
Fax: +44 (0) 20 7679 3356
Email:
Web: www.chem.ucl.ac.uk/ice/

Current research:

I currently work towards a better understanding of the combined role of nuclear quantum effects, and van Der Waals (dispersion) forces. I use the VASP code which has been modified for path-integral molecular dynamics.

  • Density functional theory (DFT),
  • Path-integral molecular dynamics (PIMD),
  • Quantum tunneling of small nuclei in reactions,
  • Simulations with the CASTEP and VASP plane wave DFT codes.

Publications

  • "Dynamics of quantum tunneling: Effects on the rate and transition path of OH on Cu(110)", E. R. M. Davidson, Ali Alavi, and Angelos Michaelides, Phys. Rev. B. 81 153410 (2010) [pdf] [preview]

  • "Introducing k-point parallelism into VASP", A. Maniopoulou, E. R. M. Davidson, R. Grau-Crespo, A. Walsh, I. J. Bush, C. R. A. Catlow and S. M. Woodley, Comput. Phys. Commun. 183 1696 (2012)

Posters

Here are a few of the posters I have made for my research.

Photographs

Here are some photographs I've taken at conferences, or even in and around London. I'll add more here each time I travel. Enjoy!

ICTP May 2010 Nanoscience school (Trieste)

APS March 2010 meeting (Portland, OR)

Windermere Water Workshop January 2009 (Lake District)

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This page was last modified on 08 Oct, 2010 by Erlend Davidson

 

 

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