Welcome to the Hoffmann Group

Our research looks at bonding in all types of chemical systems--discrete molecules or extended solids, organic or inorganic. While our methods rest on detailed, reliable calculations, our interests lie more in building qualitative understanding than in producing high-precision computational data. Through our analysis of specific bonding puzzles, we hope to provide a conceptual framework that will aid experimentalists in their attempts to synthesize new compounds with unusual structures and interesting properties. Click on a project below to learn more.


Our Research

The Role of Dimensionality in Materials
Xiaodong Wen

SiHx Under Pressure: The influence of Hydrogen Richness on the Phase transitions
Vanessa Labet

PbH4 Under Pressure
Patryk Zaleski-Ejgierd
from light element compounds
Andreas Hermann

Created by Rob Berger and maintained by Vanessa Labet.