PhD fellowship in computational chemistry/chemoinformatics, Bergen, Norway

3-year position as research fellow (PhD student) is available at Department of Chemistry, 

University of Bergen, Norway, more specifically, in the research group of Prof. Vidar R. Jensen.

SOME BACKGROUND INFORMATION ON THE OVERALL PROJECT:
The available position is linked to the project A method for automated denovo optimisation

 of functional transition-metal complexes, funded by the Norwegian Research Council, and

 is devoted to development of a de novo system for automatic generation of new functional

 coordination compounds with optimal properties. The project involves a close collaboration

 between the research  groups of Profs. Bjorn K. Alsberg, Department of Chemistry at 

the Norwegian University of Science and Technology (NTNU), and Vidar R. Jensen, 

Department of Chemistry at the University of Bergen (UiB), and also involves further 

collaborating groups, both nationally and internationally. Catalysts constitute an example

 of functional coordination compounds which in particular will be the subject of investigation. 

The kind of de novo software to be developed is already in widespread use in 
optimization and development of pharmaceutical substances (i.e., in silico drug design), 

but has not yet been applied in coordination/organometallic chemistry and catalysis, 

mainly because the traditional methods of drug-design are not directly applicable to 

coordination compounds. 

DESCRIPTION OF THE PHD PROJECT:
The PhD student will participate in the development of the software for de novo evolutionary 

development of coordination compounds together with the other project participants. The 

PhD student will in particular work to integrate molecular-level computational software 

packages (quantum chemical and molecular mechanical, stays in collaborating research 

groups in the UK and the US are planned in connection with this work), identification/development 

and implementation of molecular descriptors (for coordination compounds), development 

and implementation of algorithms for efficient optimization of transition states (based 

on an QSAR/QSPR extrapolation scheme), as well as testing and validation of 
the software in general.

EXPECTED QUALIFICATIONS OF THE CANDIDATES:
Candidates should have a strong background in computational chemistry  

(molecular modeling and/or quantum chemistry), whereas some background 
from chemoinformatics/chemometrics also is desirable. Experience from 

programming and knowledge of inorganic/organometallic chemistry is an advantage.

SALARY:
Starting salary on grade 48 (code 1017/pay framework 20.8) in the Civil Service 

pay grade table scale; currently NOK 383,900 gross p.a.(salary will be adjusted); 

following ordinary meriting regulations.

FURTHER INFORMATION:
A more detailed description of the position and how to apply is available on the 

following web-address http://jensen.uib.no/stillingsomtale_PhD_B.htm. 

For further information, please do not hesitate to contact Professor Vidar R. Jensen, Department 
of Chemistry (tel: +47 55 58 34 89; e-mail Vidar.Jensen@kj.uib.no).