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

Interfaces: Catalytic & Environmental - ICE group
Prof. Angelos Michaelides
Contact us

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

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.


  • "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)


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


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)

Ice Group logo

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



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