Looking For a Postdoc Position With CP2K

StKolev sko... at mnet.bg
Wed Dec 9 20:16:06 UTC 2015


Dear CP2K users/developers


This year I got a PhD in the field of computational chemistry and I'm 
looking for a Postdoc Position/Job. I have experience with variety of 
methods including Density Functional Theory (DFT, TDDFT, Born-Oppenheimer 
molecular dynamics with DFT functional), Ab-Initio methods (CI, CC, MP2). 
All calculations were performed on BlueGene P supercomputer and Linux 
cluster - with CP2K and Gaussian software. I have practical experience in 
C# programming.


Quantum chemical calculations were used to evaluate geometry parameters and 
electronic properties of organic molecules, clusters and RNA structures in 
solution. My additional experience includes simulation of spectroscopic 
data (IR and UV-Vis spectroscopy). I have simulated UV-Vis (light induced) 
electronic transitions and IR of very complex systems in solution (>400 
atoms). I also have practical experience in UV-Vis spectroscopy, which was 
topic of my master’s thesis. 


My CV and Publications list are attached.

http://www.filedropper.com/sk_3 <http://www.filedropper.com/sk_2>


Here is my best publication:


Hristo Iglev , Stefan K. Kolev, Hubert Rossmadl, Petko St. Petkov, Georgi 
N. Vayssilov “Hydrogen Atom Transfer from Water or Alcohols Activated by 
Presolvated Electrons” The Journal of Physical Chemistry Letters, 6 (6), 
986–992 (2015)

In this work, I performed calculations of the photoexcitation and electron 
transfer to the medium from an OH- ion. Calculations were performed in 
order to study the recombination mechanism of the excited electron and the 
remaining OH radical. The task was accomplished combining DFT (GGA-PBE) 
dynamical simulations of the larger system and cluster optimizations with 
hybrid functional. Electronic transitions were analyzed with TDDFT.


If you have interest, please contact me via email: kole... at abv.bg


Best Regards

Stefan Kolev
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