Computational Materials Discovery Scientist

Position Summary

As a Computational Materials Discovery Scientist, you will work at the intersection of materials science, computational chemistry, condensed matter physics, and quantum computing. You will contribute to molecular and mesoscale modeling for polymeric material. This role is ideal for candidates who want to solve real scientific and industrial problems using multiscale modeling.

Requirements

Core Technical Skills

Molecular & Statistical Simulations

• Classical Molecular Dynamics (MD)
• Force-field development and validation
• Monte Carlo (MC) simulations

Multiscale & Mesoscale Modeling

• Coarse-grained modeling for highly heterogeneous systems
• Phase-field modeling

Benchmarking & Validation

• MD engines: LAMMPS, GROMACS, NAMD

Tools

• MDAnalysis, pymatgen, PLUMED, VOTCA, PACKMOL<...