Job announcements relevant to people interested in electronic structure calculations
Research fellow in computational chemistry, Univ ... (No replies)
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:
Details can also be found directly on the University of Warwick vacancies page here:
Informal enquiries can be sent to Scott Habershon ([email protected]).
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