Computational Materials Scientist (Xora Portfolio Company)

We are seeking a Computational Materials Scientist with expertise in either battery materials (solid/liquid electrolytes) or semi-conductors or catalysis. Elemynt is a computational materials research platform provider that works at the intersection of AI/ML, physics, and data-driven materials design. At Elemynt, the candidate is expected to be hands-on combining state-of-the-art ML interatomic potentials (MLIPs) with atomistic simulations to accelerate materials discovery. Responsibilities Apply MLIPs (MACE, M3GNet, NequIP, GAP) to predict properties of materials Run atomistic simulations using DFT codes (VASP, Quantum ESPRESSO, CASTEP, etc.) and MD packages (LAMMPS, GROMACS, etc.) Implement graph neural networks and diffusion models to generate and optimize electrolyte candidates Perform synthesis prediction and precursor selection, linking atomistic modeling to experimental feasibility Curate and query large-scale materials and reaction databases for training and validation Collabor...