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 (go.warwick.ac.uk/habershongroup) 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:

http://www.jobs.ac.uk/job/BGX140/research-fellow-in-computational-chemistry-81451-018/

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

https://atsv7.wcn.co.uk/search_engine/jobs.cgi?owner=5062452&ownertype=fair&jcode=1709599

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

Best,

Scott Habershon