Atomistic Surfaces and Reaction Modeling Evaluator

ixolabs.ai; France; Hybride; 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

Work you will do

• Develop challenging problems involving electronic structure, surfaces and interfaces, adsorption or reaction energetics, and provide scientifically defensible solutions.
• Inspect model-generated arguments for physical, numerical or methodological defects, then rank alternative answers using stated scientific criteria.
• Organize simulation setups, methods and results into clear data packages that preserve the context needed to interpret them.
• Explain findings concisely in written English, including why an apparently plausible result fails a relevant scientific check.

Preferred background

• PhD in materials science, chemistry, physics, chemical engineering or a related field; postdoctoral research depth is especially relevant.
• Practical first-principles or molecular modeling using DFT, ab initio/classical molecular dynamics or Monte Carlo methods.
• Surface/interface work involving slabs, reconstructions, transition states, NEB or microkinetics, with semiconductor materials or heterogeneous-catalysis expertise.
• Relevant tools such as VASP, Quantum ESPRESSO, CP2K, GPAW, LAMMPS, ASE or pymatgen.

Deliverables

Original scientific tasks and solutions, comparative evaluations, and organized simulation evidence with traceable assumptions.

Location and schedule

Remote; United States residence applies to this track. Planning availability is 10-40 hours a week. Actual volume, duration and schedule are agreed with IXO before work.

Pay and working terms

$89/hr USD. IXO will agree the assignment scope, hourly rate, schedule and acceptance criteria before work begins. Work is a paid remote expert engagement; applying does not guarantee an assignment. Use only public, licensed or otherwise authorized material. Do not provide confidential employer information, personal data or restricted research.