Phd candidate in neural network-based modeling for molecule and material design

Regio:
Amsterdam
 
Functieomschrijving

What are you going to do

?

This project focuses on developing and applying a state-of-the-art computational framework for studying electro-catalytic reactions and designing improved catalyst materials.

You will:

  • develop a protocol for setting up, training, and applying neural network potential based molecular dynamics simulations for catalyst screening;
  • develop and apply machine learning techniques, e.g. based on “Collective Variable Free Sampling of Molecular Transition Paths”, to obtain reaction free landscapes;
  • improve the integrated models for investigation of electron and proton transfer reactions at catalyst materials;
  • propose new catalyst materials, working conditions, and experiments to our collaborators.
  • Tasks and responsibilities: 

  • complete a PhD thesis within the official appointment duration of four years;
  • conduct independent research in the Computational Chemistry group;
  • be an active member of the research group and take responsibility for shared tasks; discuss your work with the group members and during work discussion meetings, incorporate feedback and give input to others;
  • collaborate with your colleagues in the Computational Chemistry group at HIMS, the AI4Science Laboratory at IvI, and in experimental groups at HIMS;
  • take a leading role in writing manuscripts and publish and present your work in peer-reviewed international journals, books and conferences;
  • participate in the Faculty of Science PhD training program;
  • contribute to the supervision of BSc/MSc student projects;
  • contribute to the teaching activities of the department.
  • What do you have to offer?

    You are passionate about science and have a particular interest in modelling. You enjoy close collaboration with domain experts. You have a creative mind and look forward to work at the cutting-edge of computational technology. Finally, you are a team player and a pleasant colleague who enjoys being part of an interdisciplinary team of computational researchers and plant scientists.

    Your experience and profile

    You have/are:

  • a creative, curious and driven nature;
  • a Master’s degree in science, preferably in chemistry, chemical engineering, physics, engineering physics, materials science, computational science, or artificial intelligence with a specialization in natural science;
  • experience with molecular simulation is preferred;
  • experience with machine learning is preferred;
  • good programming skills;
  • excellent communication skills in oral and written English;
  • strong initiative and good time management skills;
  • interest in collaborating with students, PhDs and postdoctoral researchers in related projects and research groups within and outside the Netherlands.
  • Our offer

    A temporary contract for 38 hours per week for the duration of four years (the initial contract will be for a period of 18 months and after satisfactory evaluation it will be extended to a total duration of four years). This should lead to a dissertation (PhD thesis). The preferred starting date is November to February . We will draft an educational plan that includes attendance of courses and (international) meetings. We also expect you to assist in teaching undergraduates and Masters students.

    Based on a full-time contract (38 hours per week) the gross monthly salary will range from €2, in the first year to €3, (scale P) in the last year. This is exclusive 8% holiday allowance and 8.3% end-of-year bonus. A favourable tax agreement, the ‘30% ruling’, may apply to non-Dutch applicants. The Collective Labour Agreement of Dutch Universities is applicable.

    Besides the salary and a vibrant and challenging environment at Science Park we offer you multiple fringe benefits:

  • holiday hours per year (based on fulltime) and extra holidays between Christmas and 1 January;
  • multiple courses to follow from our Teaching and Learning Centre;
  • a complete educational program for PhD students;
  • multiple courses on topics such as leadership for academic staff;
  • multiple courses on topics such as time management, handling stress and an online learning platform with + different courses;
  • 7 weeks birth leave (partner leave) with % salary;
  • partly paid parental leave;
  • the possibility to set up a workplace at home;
  • a pension at ABP for which UvA pays two third part of the contribution;
  • the possibility to follow courses to learn Dutch.
  • Are you curious to read more about our extensive package of secondary employment benefits, take a look here.