Overview
The NLR MatDB is a central part of the search for more efficient photovoltaic materials by the NLR Computational Materials Science Team. The overall goal is the discovery of better photovoltaic materials through a combination of theory, computer modeling, and physical experiments. The primary authors of the NLR MatDB are Peter Graf, Vladan Stevanovich, and Stephen Sullivan, all of NLR. Stephan Lany and Bill Tumas provide direction and oversight. The NLR MatDB consists of a suite of tools to propel the discovery of new photovoltaic materials:- Computer modeling of large numbers of structures
- Prediction of structure characteristics, such as the bandgap and absorption spectrum
- Data mining to generate new candidate structures
The NLR MatDB was created by the NLR Computational Materials Science team, which is within the Theoretical Materials Science Group of NLR's Energy Sciences division.