Remote Computational Materials Scientist (Part-Time AI)

24-Mag Llc; New York (NY); Hybrid; USD 14,000 - 55,000; Part time

Benefits offered by this job

Flexible weekly hours

Fully remote within the United States

Weekly payments via Stripe or Wise

Job summary

24-MAG LLC is offering a specialised part-time consulting opportunity for experienced computational materials scientists with deep expertise in atomistic modelling, surface and interface science, first-principles simulation, and computational catalysis. This long-term role supports an AI research initiative focused on materials science and the physical sciences.

Selected professionals will apply expert-level knowledge of atomistic simulation, electronic structure, surfaces, adsorption, and

Qualifications

• PhD in materials science or closely related field; several years of post-PhD research preferred.
• Strong experience in computational materials science, surface science, or catalysis.
• Hands-on atomistic modelling using first-principles or molecular simulation methods.

Responsibilities

• Apply atomistic modelling and first-principles methods to complex materials problems.
• Develop robust simulation setups and reference analyses.
• Evaluate modelling choices, boundary conditions, and energetics.
• Design expert-level problems and review AI-generated reasoning.
• Translate technical knowledge into clear written explanations.

Skills

Atomistic modelling

First-principles simulations

DFT

Ab initio MD

Classical MD

Monte Carlo methods

Surface science

Adsorption modelling

Reaction energetics

Scientific evaluation

Clear written explanations

Education

PhD in materials science, chemistry, physics, or related field

Post-PhD research experience

Computational materials science expertise

Tools

VASP

Quantum ESPRESSO

CP2K

GPAW

LAMMPS

ASE

pymatgen

Job description

24-MAG LLC is offering a specialised part-time consulting opportunity for experienced computational materials scientists with deep expertise in atomistic modelling, surface and interface science, first-principles simulation, and computational catalysis. This long-term role supports an AI research initiative focused on materials science and the physical sciences.

Selected professionals will apply expert-level knowledge of atomistic simulation, electronic structure, surfaces, adsorption, and