silicomodeller

Silicomodeller is a term used to describe a professional or software-based approach that creates computational models of silicon-based materials, structures, and devices. The practice covers atomistic, mesoscale, and continuum representations of silicon crystals, doped silicon, silicon dioxide interfaces, and related materials systems, with the aim of predicting physical properties and technological performance.

Practitioners employ a range of methods, from atomistic simulations such as molecular dynamics and density functional theory to mesoscale kinetic Monte Carlo and continuum finite-element techniques. Model development often involves constructing accurate structural models, parameterizing interactions, and validating simulations against experimental data. Common tooling includes simulation packages like LAMMPS, VASP, Quantum ESPRESSO, as well as multiphysics platforms such as COMSOL and ANSYS; programming in Python and C++ is typical for automation and data analysis.

Applications span semiconductor device research and development, materials discovery for photovoltaics and microelectronics, and reliability studies of silicon-based components. Silicomodellers may study crystal defects, diffusion and doping processes, oxide and interface behavior, thermal and mechanical stresses, and electronic structure effects that influence carrier transport and breakdown mechanisms. They often contribute to process simulations, device design, and digital twins of silicon systems.

Typical backgrounds include physics, materials science, chemistry, or electrical engineering, with training in crystallography, semiconductor physics, and numerical methods. The work typically occurs in academic laboratories, semiconductor companies, or contract research organizations, collaborating with experimentalists and device engineers.

Note: the term silicomodeller is not universally standardized, and usage varies by organization. Related roles include computational materials scientist, silicon materials modeller, and device simulation engineer.