Scientific Modeller (Microscale)

Job description

Electric Ant Lab (EAL) is seeking a Scientific Modeller (Microscale). This is a real chance to shape EAL’s scientific strategy and to expand upon years of cutting-edge scientific work, which has laid the foundation for our breakthrough R&D digitization tool - RheoCube. 

What will your job at EAL look like?

In line with the rapid growth of EAL, we are expanding our Modelling Team. This is the group responsible for building the theoretical frameworks, models, and scalable code around the core tech of our company: RheoCube. 

Translating the physical world to the virtual world is the core activity of the Modelling Team. We develop new theoretical models and simulation strategies for RheoCube at both the meso- and micro-scale. Some of the phenomena we aim to capture with modelling at these scales include: viscosity/visco-elasticity, surfactant activity, phase behaviour, interfacial phenomena, thermodynamics of mixing, non-equilibrium polymer physics, and self-assembly. These models are run on High Performance Computing (HPC) infrastructure.

We now seek a Scientific Modeller to join in the microscale side of our team. This will be someone with particularly strong skills in molecular dynamics simulation and statistical thermodynamics. You will be responsible for developing original theoretical ideas and numerical methods for the microscale, implementing these methods into a molecular dynamics context, implementing coarse-grained molecular force fields, and optimising the code to exploit bleeding-edge computational technology (e.g. parallel processing, GPU programming, and custom computing architectures).

As one of our newest team members, you will have a passion for creative problem solving. You will show the ability to work autonomously as well as within a team to solve challenging problems. Experience in code optimization and industrial application of scientific simulation would be advantageous.

About Electric Ant Lab

EAL is a simulation software company located at Amsterdam Science Park. Chemistry-focused R&D scientists at large corporations are a key part of our customer base. Our primary product is RheoCube: a cloud-based virtual lab and simulation platform. It is designed to offer a researcher-friendly alternative to the physical lab approach of trial-and-error, often used for prototyping new products and for applied material research.

What's in it for you?

EAL is a young company where everybody has the freedom to fulfil their role in a fashion that fits their expertise and way of working. In general, "we don't have time for hand-holding" and this open approach has become part of our DNA. All EAL colleagues (see EAL linkedin) are independent professionals who take pride in applying their expertise to their responsibilities, and collaborate well with colleagues. We offer an open, trusting culture with a fast-paced, dynamic working environment. Of course you will receive a competitive salary and all the practical amenities you'd expect from a workplace in 2021.


  • Development of original theoretical models and numerical methods at the coarse-grained molecular scale 
  • Prototyping of models for in-house scientific validation on case studies
  • Implementation of models/methods into a molecular dynamics framework (e.g. in pre-existing packages such as LAMMPS, or in new high-performance code)
  • Implementation of coarse-grained molecular force fields
  • Testing models for performance, scientific/user robustness, and client useability

About the application process:

  • During the pandemic the process is completely online
  • The process consists of three interview rounds

Special note to Recruiting Agencies and/or recruiters in general: we absolutely do not appreciate any phone calls or cold outreaches with potential candidates. Thank you! We invite ‘your’ candidates to apply themselves.



  • PhD (preferable), or MSc plus 6+ years of working experience, in physical chemistry, soft-matter/polymer physics, or related fields.
  • Working knowledge of statistical thermodynamics, e.g. of fluids, glasses, polymers, or other soft materials.
  • Development experience in quantitative coarse-grained or united-atom molecular dynamics, and in building original simulation algorithms, analysis routines, etc.
  • Strong programming skills, preferably in Python and C.

Optional Qualifications

  • Molecular dynamics force-field implementation, parameterisation, and development;
  • Building frameworks, workflows and data structures from scratch around a computational model.
  • Large-scale simulation and HPC / parallel computing;
  • Collaborative software projects, or development at a simulation software company.