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Context

We have pioneered and become the world-leader of organic Crystal Structure Prediction. With our pharmaceutical industry customers and staff from all around the world, we are inventing the next generation of software tools for in silico materials design.

Your responsibilities

AMS´ GRACE software is the most scientifically advanced software package for Crystal Structure Prediction (CSP). Depending on your interests and skills you will expand GRACE in various directions:

Crystallographic Computing

You admire the beauty of symmetry and group theory, but also appreciate the power of energy-aware crystallography. You will enhance modern crystal structure prediction by using information from crystallographic data bases and simulate experimental data from complex crystalline structure models.

Force Field Energy Calculations

You are a high-performance computing expert with experience in implementing force field technology for various hardware environments including GPUs. You will make our ab-initio grade force fields scale up to supercomputer size and perform close to the machine limit.

Molecular Dynamics

You are a molecular dynamics expert and you have always wondered what your trade would be like with efficient ab-initio grade force fields. We have the force field. Go out and change the world of computational materials design by implementing high-value data flow processes and interfacing with third-party software.

Solubility Prediction

 You have tried to predict the absolute solubility of pharmaceutical compounds by various means but never got close enough? We have a plan, you will contribute to making it work.

Crystal Nucleation and Morphology

You always thought that crystal structures deserve an interface? Our proven computational infrastructure and energy calculation methods will enable you to tackle the dynamic aspects of crystallization.

Your profile

Do you share our vision and values?

• You are committed to reduce the carbon footprint at work and care about Ethics in Business
• Can-do attitude
• You are rigorous, precise and solution-oriented
• You can execute complex sub-projects independently
• You are pragmatic and willing to accept the constraints of a historically grown code
• You have a genuine interest in the development of efficient computer algorithms
• Intercultural awareness: customers and teams come from all over the world, so it is important to enjoy navigating different mentalities and cultural contexts.

Hard skills

Both expert knowledge and hands-on experience in at least one of the domains mentioned in the “Your responsibilities“ section

• Object oriented and template programming in C++
• A strong molecular modelling background
• Fluent written and spoken scientific English

Education

Master in computer science, PhD in physics, chemistry, or a related field.

What we offer: a workplace to shape your future

We are a small family business with short communication paths. The impact of your work is immediately visible and directly supports other team members.

• Flexible work time management around core hours
• Free organic coffee & teas, fresh fruits

• Resilient, organic garden: employees can grow their own fruits and vegetables
• A quiet workplace with the quality of a living space (not open plan offices)
• Job specific training
• Yearly: 28 days paid leave (full time based) + about 10 days public holidays
• Equal opportunity policy
• Help with settling in if you are located outside Germany