Xora Innovation

Principal

• Model precursor chemistry, surface reactions, and thin-film growth and etch mechanisms using periodic and molecular DFT
• Rank pathways for ALD, ALE, CVD, and epitaxy processes
• Build, train, fine-tune, and deploy machine-learned interatomic potentials in large-scale molecular dynamics and kinetic simulations
• Run classical and reactive MD using LAMMPS and ReaxFF for film nucleation, defect evolution, interface formation, and plasma–surface interaction
• Bridge atomistic results into continuum and process-level models, including Sentaurus Process, Victory Process, and custom kinetic Monte Carlo
• Predict conformality, selectivity, throughput, and device-relevant film properties
• Design simulation campaigns supporting active-learning and generative models
• Define computational methods, fidelity, and objectives
• Work directly with process engineers at IDMs, foundries, OEMs, and materials suppliers to validate predictions against experimental and fab data
• Establish reproducible, automated simulation infrastructure, including workflow managers, HPC/cloud orchestration, and data provenance
• Select methods, build workflows, run calculations, and ensure predictions hold up against fab data

Explore Senior/Principal Computational Materials Scientist at Xora Innovation. Review requirements and application details.