Marie Curie PhD fellowship – Machine Learning for Organic Electrolytes

Update: Applications for this position are now closed. Thank you for all your interest. 

We are looking for a PhD student who will research and implement new combined machine learning (ML)  + molecular dynamics (MD) methods for quickly assessing the performance of redox-flow batteries based on organic electrolytes.

The work will build upon and improve SCM’s existing methods for computational chemistry, which include an advanced molecular dynamics driver and automated ML force field training. The focus of the project lies in the development of methods and software to help battery modelers worldwide more easily develop next-generation batteries.

In particular, one challenge to address includes accurately modeling long-range electrostatic effects, in order to be able to obtain atomistic insights into the structures – and the chemical reactions which drive structural changes – in the electrode, electrolyte and at the electrode/electrolyte interface.

The position is part of the European Commission-funded Doctoral Network PREDICTOR, a collaboration between several universities and companies. Salary conditions, travel/mobility allowances, and benefits will follow the attractive EU amounts for Researchers in the HORIZON-MSCA-2023-DN-01 call.

The position is open to:

• ML MSc graduates with an interest in chemistry/physics, and
• Theoretical chemistry/physics MSc graduates with an interest in ML.

PREDICTOR Network, supervision & training

The PREDICTOR network project contains a mix of 17 experimental and theoretical research-oriented PhD projects.

The candidate will be hosted at SCM but enrolled in a PhD program at the University of Amsterdam.

• PhD supervisor: Prof. Dr. Bernd Ensing, University of Amsterdam
• Co-supervisor: Dr. Matti Hellström, Software for Chemistry & Materials B.V.
• Planned secondment for three months: Prof. Dr. Piotr de Silva, Technical University of Denmark
• Throughout the project there will be local and network-wide training, including academic and industrial specialist courses, transferable skills training, (international) workshops and training-through-research

Requirements

• Proven software development skills, combined with a thorough knowledge of either chemical reaction networks, electrochemistry, density functional theory, molecular dynamics, or machine-learning methods.
• Being able to grasp complex mathematical ideas in scientific publications, improve upon them, and convert them into clean and efficient source code.
• MSc degree in Physics/Chemistry/Machine Learning.
• Not being in possession of a PhD degree.
• Excellent written and verbal communication skills in the English language.
• EU mobility rules apply: Recruited researchers can be of any nationality and must not have resided or carried out their main activity (work, studies, etc.) in The Netherlands for more than 12 months in the 36 months immediately before the recruitment date.
• The start date should be between 1 September 2024 and 31 August 2025.

Desirable additional knowledge & experience

• Working knowledge of Fortran(90) and Python.
• General programming skills (UNIX, debugging, etc.).
• Team player, with good two-way communication skills, highly self-motivated and able to work independently with excellent time management skills.

What we offer

SCM offers an informal working atmosphere in a small team of approx. 30 PhD-level researchers and scientific software developers from various nationalities and backgrounds. We offer our employees 34 paid holidays per year and flexible working hours, as well as occasional remote work options. All employees are enrolled in the ABP pension fund.

The PhD fellowships will consist of an initial 3-year full-time position, with a possible extension. Salary conditions, travel/mobility allowances and benefits will follow the attractive EU amounts for Researchers in the HORIZON-MSCA-2023-DN-01 call.

• Gross monthly living allowance: € 3.426,- which includes the 9.6% extra due to the country correction coefficient of 109.6% for The Netherlands for the entire period.
• Additional monthly mobility allowance of € 600,-.
• Additional monthly family allowance of € 660,- for researchers who have a family (regardless of whether the family will move with the researcher or not).

In addition, the EU provides funding for training and transfer of knowledge expenses to the institutes. Tax benefits (significant parts of salary and/or allowances paid tax-free) may be applicable in The Netherlands (depending on circumstances) for a successful candidate from abroad.

Eligibility
SCM is an equal opportunity employer; we encourage interested candidates to apply even if you think you don’t ‘tick all the boxes’. SCM will recruit & hire without regard of nationality, age, religion, sexual orientation or gender identity.

Applying
Applications for this position are now closed. Thank you for all your interest.