Computational Scientist (Fortran, C/C++, Python)

Molecular Quantum Solutions (MQS) Copenhagen StudentInternship
Salary Unpaid
Molecular Quantum Solutions ApS is a deep tech start-up offering cloud-based quantum chemistry calculations for the pharma, biotech and pharma industry. The SaaS product allows users to accelerate their research and development efforts with respect to screen new drugs and their optimal formulation, materials (catalysts, polymers, nano-structures) and provide chemical property prediction to design industrial chemical process plants.

Are you getting excited about algorithms written in Fortran, C, C++ or Python?

Then you might be interested working with us together to develop advanced skills in quantum chemistry calculations where very advanced high performance computing is applied.

Ideally you would also have an educational background in quantum chemistry or physics but also computer scientists are very welcome to contact us.

You should have some advanced skills in one of the following programming languages:

  • Fortran (Fortran90 or Modern Fortran)

  • C or C++

  • or Python (Numpy)

Vectorization and therefore writing code which can run in parallel is important for our applications.

Please don't be shy or think you don't have the needed qualifications. We can further discuss the project to get the most out of it knowledge wise to grow together.

For more information or questions please contact us at

Perks and benefits

This job comes with several perks and benefits

Flexible working hours
Flexible working hours

Time is precious. Make it count. Morning person or night owl, this job is for you.

Social gatherings
Social gatherings

Social gatherings and games; hang out with your colleagues.

Free friday beers
Free friday beers

Friday is something special, let's enjoy a beer together.

Skill development
Skill development

We want to take you from good to great.

Remote work allowed
Remote work allowed

You know how you perform best. Work from your couch, your favorite cafe or abroad when you feel like it.

Working at
Molecular Quantum Solutions (MQS)

Our software tool provides predicted properties of (bio) chemicals based on data-driven algorithms and quantum chemistry, which helps to reduce the number of experiments in R&D. Every (bio)chemical process or product needs physico-chemical properties (e.g. solubility, density) data to simulate unit operations and flowsheets of chemical manufacturing processes. Also, the formulation of products such as more sustainable solvents or more efficient materials need property calculations for designing these products. Scientists and engineers at biotech companies usually fail to develop and simulate new processes and products because: (I) the experimental data for specific molecules are not available, (II) no physical property models have been developed for the desired compounds which give satisfiable predictions, (III) measurements are too time- and material-consuming to perform. MQS has developed a software which provides novel property prediction models based on machine learning and quantum chemistry (Figure 1), in which the input from experiments can be reduced or is negligible. Therefore the number of experiments, material, labour and time are saved which translates to reducing R&D costs in a 407 billion $ industry [1,2,3]. [1] EvaluatePharma – World Preview 2019, Outlook to 2024, June 2019; [2] Edelman, B., Biotechnology Healthcare 2004 May; 1(2): 37–41; [3] Global Market Insights, Inc, Sellbyville, Delaware, Jan. 23, 2019 (GLOBE NEWSWIRE)

Read more about Molecular Quantum Solutions (MQS)

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