Thomas J. L. Mustard

Accelerated discovery of OLED materials through atomic-scale simulation

Mathew D. Halls, David J. Giesen, Thomas F. Hughes, 2016, Organic Photonics + Electronics.

Group additivity-Pourbaix diagrams advocate thermodynamically stable nanoscale clusters in aqueous environments

Kristin A. Persson, Douglas A. Keszler, Paul Ha-Yeon Cheong, 2017, Nature Communications.

Atomic-scale Simulation for the Analysis, Optimization and Accelerated Development of Organic Optoelectronic Materials

Mathew D. Halls, Alexander Goldberg, H. Shaun Kwak, 2015 .