Defect thermodynamics are often studied from the perspective of phase stability and defect formation energetics using first-principles calculations. The results are comparable to experimentally-measurable carrier concentrations. However, visualizing all properties simultaneously by exploring the multidimensional chemical phase space is not trivial. 

VTAnDeM offers a graphical interface that allows the user to interact directly with the chemical phase space of a given material and to visualize the defect formation energetics and ensuing carrier concentrations. The computational methods derive from standard defect theory within the supercell approach. The synchronous visualization scheme provides a streamlined approach to analyzing defect-related properties in semiconductors and insulators, all in real time.