Infrastructure

As part of the UTC Research Institute (UTCRI), the Nanoengineering Center has access to all of the following resources, buildings, and equipment.

• Computational Infrastructure: The Nanoengineering Center develops and applies computational approaches spanning atomic, molecular, mesoscale and engineering scales.
• First-Principles Modeling: Density functional theory and electronic-structure calculations are used to investigate material properties, surface chemistry, adsorption, reactions and energetics.
• Molecular Dynamics: Atomistic simulations are used to study interfaces, fluids, materials, thermal transport and nonequilibrium nanoscale processes.
• Rarefied-Gas Modeling: Direct simulation Monte Carlo and related kinetic approaches are used to investigate gas transport and gas-surface interactions beyond the continuum regime.
• Continuum and Multiscale Modeling: Molecular, mesoscale and continuum approaches are connected to translate nanoscale mechanisms into engineering-scale predictions.
• Artificial Intelligence and Machine Learning: AI and machine-learning approaches support model development, materials analysis, parameter identification, surrogate modeling and acceleration of computational research.
• High-Performance Computing: Center researchers use advanced high-performance computing resources for large-scale molecular, materials and multiphysics simulations.