Atomistic Materials Modeling Expert

Posted 11 Oct 2026

$84/hr

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Work

Remote · Contract · 40 hrs/wk

Experience

Senior

Eligibility

Open to United States, Canada, United Kingdom, Austria, Belgium, Bulgaria, Croatia, Cyprus, Czechia, Denmark, Estonia, Finland, France, Germany, Greece, Hungary, Ireland, Italy, Latvia, Lithuania, Luxembourg, Malta, Netherlands, Poland, Portugal, Romania, Slovakia, Slovenia, Spain, Sweden

Field

Engineering (other)

Skills

Computational Materials ScienceQuantum Mechanical SimulationsMolecular ModelingDensity Functional Theory (DFT)Ab Initio Molecular Dynamics (AIMD)Classical Molecular Dynamics (MD)Monte Carlo SimulationsAtomistic ModelingVASPQuantum ESPRESSOCP2KGPAWLAMMPSElectronic StructureInteratomic InteractionsThermodynamicsStatistical MechanicsMaterials PropertiesPythonASEpymatgenHigh-Throughput Materials ScreeningMachine-Learned Interatomic PotentialsSurface and Interface ModelingHeterogeneous Catalysis

About this role

Mercor is recruiting Atomistic Materials Modelling Experts with strong backgrounds in computational materials science, quantum mechanical simulations, and molecular modelling to support advanced AI research. Experts will evaluate technically demanding problems involving…

Read the full description on Mercor

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