PhD: Computational Catalyst Design

Role Overview:
Do you want to shape the future of sustainability? We are seeking a highly self-motivated PhD candidate to join our team working on atomic level catalyst design and reaction mechanism of CO2 and CO hydrogenation processes. The project focuses on understanding of reaction mechanisms and establishing structure–reactivity relationships in CO2 and CO heterogeneous catalysis using a combination of DFT, AIMD, and machine-learning potential driven MD. The PhD position is embedded in a broader research consortium working on green hydrogen and electrons for carbon-based chemistry. This project will have a close collaboration with experimental and industrial catalysis partners.

Responsibilities:
Your duties and responsibilities include: atomic-scale modeling of heterogeneous catalysis of CO2 and CO hydrogenation reaction; reaction mechanisms, kinetics, and dynamics under realistic conditions; development and application of machine-learning methods; supervision of thesis students and teaching assistance.

Requirements:
hold (or will soon obtain) a MSc degree in chemistry, chemical engineering, physics, or a related field; you have a strong interest in computational chemistry and catalysis, and you are highly self-motivated to take on challenging, high-risk-high-gain research projects; experience with DFT, AIMD and MLP; enjoy working at the interface of catalysis and computational modeling; programming or scripting skills (Python, Bash, etc.); strong communication skills in English, both written and spoken; strong teamwork spirit and commitment. You also possess: For this position your command of the English language is expected to be at C1 level. Sometimes it is necessary to submit an internationally recognised Certificate of Proficiency in the English Language.

Qualifications:
None explicitly listed beyond the requirements.

What They Offer:
Wageningen University & Research offers excellent terms of employment. A few highlights from our Collective Labour Agreement include: partially paid parental leave; working hours that can be discussed and arranged so that they allow for the best possible work-life balance; there is a strong focus on vitality and you can make use of the sports facilities available on campus for a small fee; a fixed year-end bonus of 8.3%; excellent pension scheme. In addition to these first-rate employee benefits, you will receive a fully funded PhD position and you will be offered a course program tailored to your needs and the research team. The gross salary for the first year is € 3.059,- per month rising to € 3.881,- in the fourth year in according to the Collective Labour Agreements for Dutch Universities (CAO-NU) (scale P). This is based on a full-time working week of 38 hours. We offer a temporary contract for 18 months which will be extended for the duration of the project if you perform well. We encourage development and internal mobility within our organisation. You will work on the greenest and most innovative campus in the Netherlands, in an international and open working environment.