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Valerio Vitale

Dr Valerio Vitale

Dr Valerio Vitale

Postdoc in Prof Payne's group

Email: vv284 @
Office: 515 Mott Bld
Phone: +44(0)1223337460

TCM Group, Cavendish Laboratory
19 JJ Thomson Avenue,
Cambridge, CB3 0HE UK.


Visiting staff in the Mostofi's group at Imperial College London. Also collaborating with Prof. J. Yates at Oxford and Prof. G. Csanyi at Cambridge.


I am a post-doctoral researcher in the group of Prof. Payne. I am funded by E-CAM (European HPC centre of excellence). My research is mainly focused on the development of Wannier functions theory and algorithms, which can be applied to study the electronic properties of real systems in both solid state physics and soft matter physics. In order to achieve this goal, I work with the Wannier90 program, an open source suite for generating Maximally Localised Wannier Functions (MLWFs). This project is done in collaboration with Dr. Mostofi at Imperial College and Prof. Yates at Oxford.
I also collaborate with Prof. Gabor Csányi and Prof. Chris Pickard on the evaluation of entire P-T phase diagrams of real materials from fully ab initio calculations using exascale capability of new PRACE machines.

In Plain English

I use theoretical and mathematical methods to develop new algorithms for atomistic simulations to help understanding the behaviour of electrons in real materials and trying predicting new properties.