Job opening: software developer Machine Learning in chemistry

SCM is a growing and profitable scientific software company in Amsterdam, developing and marketing software in computational quantum chemistry and materials science for over 25 years. We have grown quite rapidly to around 20 developers over the last few years. To enhance our physics-based modeling with data-based modeling, we now create a job opening with intention of permanent employment for a scientific software developer with Machine Learning (ML) expertise. Together with our current mathematics and Machine Learning developers, you will work on developing new functionality where state-of-the-art ML techniques are applied to problems in computational chemistry. Such functionality will then be implemented in SCM’s Amsterdam Modelling Suite, which is used by thousands of industrial and academic end users around the world. Depending on the candidate’s interests and qualifications, possible projects could include generating molecular or crystal structures with desired properties, combining fast low-level methods and slow high-level methods in optimal ways, developing accurate and broadly applicable ML force fields, predicting reaction networks, learning atomic or molecular properties from databases with experimental or computed properties, etc.

Job requirements

  • MSc or PhD in Machine Learning / AI / Data Science, OR
  • MSc or PhD in theoretical physics or theoretical chemistry, with excellent mathematics and programming skills
  • Interest in developing algorithms and software implementations to help our customers solve real-world problems in computational chemistry and physics
  • Experience in using software development tools such as version control, debuggers, profilers, etc.
  • Excellent knowledge of and experience with python
  • Proven hands-on experience in at least several of the following: deep learning, GANs, reinforcement learning, classification algorithms, Bayesian techniques, Hidden Markov Models, Kernel-based methods, ML-based force fields, cheminformatics, molecular and crystal descriptors, uncertainty estimation

Desirable knowledge and experience

  • Experience with TensorFlow and PyTorch.
  • Experience in using high-performance computing infrastructure: e.g. job schedulers, optimized libraries, …
  • Experience with other programming languages such as Fortran and/or C++ and modern software development practices in general.

We will primarily consider experienced applicants but may also consider candidates who are finishing their MSc studies soon, in case of suitable background and talents.

What we offer

  • This position will initially be for one year but is intended to be extended and become permanent.
  • The position is available immediately but there is flexibility concerning the starting date.
  • Competitive salary related to experience, bonus, as well as relocation costs and secondary benefits (including ABP pension fund)
  • 34 holidays per year on top of national holidays.
  • Flexible working hours and the ability to occasionally work remotely.
  • This is a full-time (preferred) or part-time (at least 0.7 FTE) position based in Amsterdam, The Netherlands.
  • Tax benefits (30% of salary tax-free) are often applicable in The Netherlands (depending on circumstances) for a successful candidate from abroad.

The working environment at SCM

The friendly working atmosphere at SCM is that of an informal small team of PhD-level researchers and scientific software developers doing intellectually challenging work. This environment provides much freedom and responsibility for shaping your own work. Originating as a spin-off company of the VU University, Amsterdam, SCM has its office space on the VU campus, at walking distance from the Amsterdam-Zuid train station. We also extensively collaborate with a growing number of academic groups and household-name industrial partners worldwide.

SCM is a science-focused company which has been around for more than 25 years. It is financially solid, free of debt, growing, and profitable. We are located in Amsterdam, the very lively, internationally oriented, and enjoyable capital of The Netherlands. Thanks to its high quality of living and dynamism, Amsterdam has been elected as best European tech city and 4th most dynamic European city to work in, “best city for Millennials to live”, and it consistently ranks high in Mercer’s annual Quality of Living surveys (11th best in the world, in 2019). The Netherlands is also number one on the English proficiency list of 100 countries.

Further information, applying

Detailed information on SCM and its software can be found at

Those interested in this position are encouraged to contact us at for further information. Job applications can be sent by email to the same address until 31 January, 2021 (preferably sooner) or until the position has been filled. Applications should contain a CV, a cover letter explaining the motivation for applying and, if applicable, a list of software / ML projects worked on (with own contribution specified). References and source code may be requested at a later stage. The accompanying email should briefly stress already a few key reasons why you might be the most suitable person for the position.

Key concepts