Job Description
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
Simulation Workflow Engineering
- Build reproducible, automated workflows in Python for:
High-throughput materials screening
MD–CG-Mesoscale s...
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
Simulation Workflow Engineering
- Build reproducible, automated workflows in Python for:
High-throughput materials screening
MD–CG-Mesoscale s...
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