Computational Scientist - Molecular Dynamics Expert

Are you a molecular dynamics expert with interest in machine learning and with a desire to apply your skills to drive drug design with a combination of machine learning and physics-based modelling? Can you imagine yourself contributing to finding life changing medicines?

We are looking for a new colleague to join our Molecular Insights team in the Molecular AI department at our vibrant R&D site in Gothenburg, Sweden. We will make sure that your scientific experience combined with your high ambition and enthusiasm gives you a superb opportunity to influence the development of AstraZeneca's future in developing methods that will impact drug discovery projects. Are you ready to join us?

What you will do

You will have a profound impact on multiple projects across AstraZeneca with a focus applying techniques such as molecular dynamic simulations and machine learning to discover new drugs. This will involve:

* Design and optimize machine learning based relative and absolute free energy workflows to support projects in their search for truly novel chemical entities
* Using machine learning to improve force fields
* Using ML to speed-up molecular dynamics simulations
* Work closely with computational & medicinal chemists with primary focus on improving the quality and speed of workflows to develop new drugs
* Contribute to open-source projects
* Plan, write and publish high quality scientific papers
* Actively participate in mentoring the cohort of postdocs, PhD students, graduate programme participants and master thesis students in the department

Essential for the role:
We believe that you have a true passion for molecular dynamics, machine learning and drug design. You have a degree in chemistry, computer science or another similar discipline - ideally complemented by experience from molecule design in drug discovery projects. Your collaboration skills will be of essential importance.

* PhD in computational chemistry, cheminformatics, computer science or equivalent experience
* Experience with Molecular Dynamics simulations and interest in machine learning in an industry setting or at a leading academic institution
* Excellent written and verbal communication skills
* Good coding skills (Python)

Desirable for the role:

Experience and deep understanding of free energy simulations and statistical thermodynamics

* Understanding of force field development and evaluation
* Understanding of machine learning techniques used for predictive modelling
* Genuine interest in driving science forward through supervising Master thesis, PhD students and postdocs

Why AstraZeneca?
At AstraZeneca we'll make the most of your skills and passion by actively supporting you. To do this, we've built an extraordinary international working environment with outstanding opportunities for collaboration and innovation. If you're encouraged to make a difference and ready to discover what you can do - join us.


So, what's next! Does this sound like your next challenge? Apply today!

For more information about the role please contact Marco Klähn (https://www.linkedin.com/in/marco-klaehn/)

We look forward to find out more about you. Send in your application as soon as possible, but no later than October, 16th 2022.

Where can I find out more?

Life at AstraZeneca: https://careers.astrazeneca.com/life-at-astrazeneca
Relocate to Gothenburg site: https://www.astrazeneca.se/om-oss/verksamheten-i-sverige/goteborg/relocate-to-gothenburg.html
Inclusion & Diversity at AstraZeneca: https://careers.astrazeneca.com/inclusion-diversity

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