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Research fellow in computational chemistry, Univ ... (No replies)

6 months ago
scohab 6 months ago

Dear colleagues,

A 3-year post-doctoral research position in computational chemistry is available in the group of Scott Habershon at the University of Warwick, UK.

The successful candidate will work on a new project entitled “Accelerating catalyst design using reaction-path data mining”, funded by the EPSRC.

The Habershon group at Warwick ( focus on developing and applying new computer simulation methods to understand dynamic phenomena in complex condensed-phase systems. This newly-funded project is based on recent development of novel computational methods for automated reaction-path sampling. In this project, this new approach will be used to generate and model complex kinetic networks emerging from nanoparticle-catalysed reactivity of small molecules with the goal of correlating nanoparticle composition and morphology with catalytic propensity.

Relevant publications include:

(1) Automated Prediction of Catalytic Mechanism and Rate Law Using Graph-Based Reaction Path Sampling, S. Habershon, J. Chem. Theory Comput., 12, 1786-1798 (2016)

(2) Sampling reactive pathways with random walks in chemical space: Applications to molecular dissociation and catalysis, S. Habershon, J. Chem. Phys., 143, 094106 (2015)

Further details, and application procedure, can be found at:

Details can also be found directly on the University of Warwick vacancies page here:

Informal enquiries can be sent to Scott Habershon ([email protected]).


Scott Habershon

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Ab initio (from electronic structure) calculation of complex processes in materials