From: jobs at ccl.net (do not send your application there!!!)
To: jobs at ccl.net
Date: Tue Oct 24 23:54:21 2017
Subject: 17.10.24 Scientific Software Developer: energy server library for ab-initio grade force fields. Avant-garde Materials Simulation, Freiburg, Germany
||Scientific Software Developer: energy server library
for ab-initio grade force fields. Avant-garde Materials Simulation,
Avant-garde Materials Simulation is the world-leading provider of
software for organic Crystal Structure Prediction (CSP). We have
successfully competed in the last three CSP blind tests and intend to
pioneer other areas of predictive materials modelling. We rapidly
deploy new technology to some of the leading pharmaceutical
companies. AMS'GRACE software has a module called Force Field Factory
for the fully automated generation of tailor-made force field fitted
from scratch to ab-initio reference data. You will make the force
fields generated by Force Field Factory available to third-party
applications by the development of a serial and a parallel energy
server library. You mission will include the implementation of the
COSMO approximation in zero, two and three dimensions as well as 2D
and 3D Ewald summation. Your work will contribute to internal
projects aiming at the generation of highly-accurate force field for
ionic liquids and at the generation of software to predict crystal
morphology and crystal nucleation. You will participate in scientific
Before you can apply for this job at
you need to fill out the application form at:
The position will be initially open for 36 months with the intention
to make it permanent thereafter. You will report to Dr. Marcus
Neumann, the founder and director of Avant-garde Materials Simulation.
Starting date: ideally 01.12.2017, at the latest 15.01.2018.
- PhD in physics, chemistry, computer science, or a related field
- Very strong molecular modelling background
- High performance computing experience, and familiarity with various molecular modelling software tools
- You are familiar with object oriented and template programming in C++
- You are familiar with writing parallel MPI programs
- You are familiar with running calculations on HPC clusters
- You have good math skills in linear algrebra and analysis
- You have a strong molecular modelling background
- You have experience with using ab initio calculations, force fields or both
- You are fluent in written and spoken English
- You are committed to reduce the carbon footprint at work and care about Ethics in Business
- You are a team-player
- Can-do attitude
- You readily accept guidance by senior colleagues
- 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: our customers and teams come from all over the world. Thus it is important to be able to adapt to different mentalities and cultural contexts.
What we offer:
a work place where you are given the opportunity 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. We aim to provide a professional environment in which people from all over the world at different stages of their lives can find the work-life balance that suits them. Because we care about our employees, our customers' needs, scientific progress and the planet, working at AMS does have a meaning.
- Flexible work time management around core hours
- Part-time work for some of the positions
- Training for job specific topics as well as to grow your own potential
- yearly: 25 days paid leave + about 10 days public holidays
- Equal opportunity policy
- Help with settling in
AMS is an equal opportunities recruiter and we welcome applications from all suitably skilled applicants, regardless of their race, sex, disabilities, religion/beliefs, sexual orientation or age.
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- Please fill in our Application Form
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- We will first collect applications until mid November, and then start to give you feedback via Email.
- Upon successful completion of a Skype interview, you will be invited to Freiburg for a series of interviews and tests with AMS staff.
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