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Position: PhD Studentship: Accelerated Kinetic Monte-Carlo Method Development for Modelling Heterogeneous Catalysts
Institution: University College London
Department: Chemical Engineering
Location: London, United Kingdom
Duties: The main purpose of this role is to develop innovative methods and algorithms to accelerate kinetic Monte-Carlo (KMC) simulations of reactions on catalytic surfaces. A challenge in KMC simulation is that certain frequent events dominate the computational effort. Yet, after rapidly reaching quasi-equilibrium, their frequent execution is unnecessary, as they are anyway limited by slower events. In this PhD Studentship we will develop innovative algorithms that will employ reliable error estimates, robust mathematical approaches and optimisation techniques, to improve simulation efficiency incurring a small quantifiable error in the observables of interest
Requirements: The person appointed will have the essential skills, abilities, personal attributes and experience listed. In your application, you should demonstrate how you meet the person specification, using examples
   
Text: PhD Studentship: Accelerated Kinetic Monte-Carlo Method Development for Modelling Heterogeneous Catalysts, - Ref:1708784 Click here to go back to search results UCL Department / Division Chemical Engineering Location of position London Funders logo Applicants are invited for a PhD Studentship position at the Multiscale Computational Catalysis & Materials Science lab of Dr Michail Stamatakis at the Department of Chemical Engineering. Duration of Studentship 3.5 years Stipend ?16,057 p.a. Vacancy Information The post is funded for 3.5 years and the successful candidate is expected to start on 1 September 2018. The aim of the work is to develop innovative methods and algorithms to accelerate kinetic Monte-Carlo (KMC) simulations of reactions on catalytic surfaces, specifically addressing the challenge of time-scale separation between elementary events. Within the project of the project is also the implementation of these algorithms in our KMC software application Zacros. Studentship Description The main purpose of this role is to develop innovative methods and algorithms to accelerate kinetic Monte-Carlo (KMC) simulations of reactions on catalytic surfaces. A challenge in KMC simulation is that certain frequent events dominate the computational effort. Yet, after rapidly reaching quasi-equilibrium, their frequent execution is unnecessary, as they are anyway limited by slower events. In this PhD Studentship we will develop innovative algorithms that will employ reliable error estimates, robust mathematical approaches and optimisation techniques, to improve simulation efficiency incurring a small quantifiable error in the observables of interest. Person Specification The person appointed will have the essential skills, abilities, personal attributes and experience listed. In your application, you should demonstrate how you meet the person specification, using examples. Eligibility An undergraduate degree in Chemical Engineering, Chemistry, Physics or related field, with some experience in computational science and coding is desirable. Specific experience on dynamic/kinetic Monte Carlo simulations, as well as optimization and control is an advantage. A job description and person specification can be accessed at the bottom of this page. Applications must be submitted online via the UCL PRiSM portal. Please note that due to the high number of applications received, applications received via email cannot be considered. If you have any queries regarding the vacancy, please contact Dr Michail Stamatakis ( m.stamatakis@ucl.ac.uk ) Contact name Dr Michail Stamatakis Contact details m.stamatakis@ucl.ac.uk UCL Taking Action for Equality Closing Date 30 Jun 2018 Latest time for the submission of applications 23:59 Interview date TBC Studentship Start Date 1 September 2018 This role does not meet the eligibility requirements for a tier 2 certificate of sponsorship under UK Visas and Immigration legislation. Therefore UCL will not be able to sponsor individuals who require right to work in the UK to carry out this role. Job Description and Person Specification
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