Atomistic Surfaces & Reaction Modeling Specialist

ixolabs.ai; France; Sur place; EUR 91 000 - 122 000; Plein temps

Résumé du poste

ixolabs.ai seeks a researcher to develop challenging problems in electronic structure, surfaces and interfaces, adsorption or reaction energetics, and provide scientifically defensible solutions.

You will inspect model-generated arguments for physical, numerical or methodological defects, rank alternative answers using stated scientific criteria, and organize simulation setups with clear, traceable results.

Qualifications

• PhD in materials science, chemistry, physics or related field.
• Experience with DFT and first-principles modeling.
• Background in surface/interface work and NEB workflows.

Responsabilités

• Develop challenging problems in electronic structure, surfaces and interfaces, adsorption or reaction energetics.
• Inspect model-generated arguments for physical, numerical or methodological defects.
• Rank alternative answers using stated scientific criteria.
• Organize simulation setups and results into traceable data packages.

Connaissances

DFT

Molecular modeling

First-principles methods

NEB

Surface/interface work

Formation

PhD in Materials Science / Chemistry / Physics

Outils

VASP

Quantum ESPRESSO

CP2K

GPAW

LAMMPS

ASE

pymatgen

Description du poste

ixolabs.ai seeks a researcher to develop challenging problems in electronic structure, surfaces and interfaces, adsorption or reaction energetics, and provide scientifically defensible solutions.

You will inspect model-generated arguments for physical, numerical or methodological defects, rank alternative answers using stated scientific criteria, and organize simulation setups with clear, traceable results.