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Theory, Modeling & Simulation

Theory, modeling, and simulation play a seminal and prominent role in nanoscience. In fact, simulation has been described as the third pillar of scientific discovery that bridges the gap between experimental measurements and pure theoretical predictions.

In VINSE, we develop and use tools at the forefront of nanoscale modeling — from density functional theory to finite elements, from molecular dynamics to Monte Carlo. We use these tools to design new materials for energy conversion, improve the efficiency of nanostructured electronic devices, and study the interactions of biological materials at nano-interfaces for groundbreaking new medical therapies. Together, we are using the advances in computer technologies to provide solutions to today's problems.