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PhD Scholarship in High-level quantum chemistry calculations on key reactions in ammonia combustion.
For information on moving to Ireland please see www.euraxess.ie Detailed Project Description : Carry out high-level ab initio calculations for some key reactions in combustion chemistry model. Write and publish
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. Correlated experimental, ab initio and multi-scale techniques are central to our mission: Development and application of advanced simulation techniques to explore and identify the fundamental structures and
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transport simulation or ab initio codes would be a strong asset. Soft skills: Autonomy, Teamwork REQUESTED DOCUMENTS OF APPLICATION, ELIGIBILITY CRITERIA, SELECTION PROCESS CV and motivation letter HOW
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time-scales: ab initio methods for the description of reaction processes, for the determination of electrochemical stabilities and for the optimisation of force fields; molecular dynamics simulations
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, aiming at the computational modelling using classical and ab initio molecular dynamics structure and dynamics of electrolytes at charged interfaces. 2. Applicable Legislation Decree-Law no. 57/2016
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) in Chemistry, or other relevant scientific discipline (e.g. Physics, Materials Science). Candidates with experience in ab initio electronic structure methods, scientific programming, or scientific
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science, or quantum chemistry, with a strong foundation in quantum physics and solid experience in ab initio DFT methods and/or spin dynamics simulations, complemented by strong programming skills. Your