We are a multidisciplinary theory and computation group working at the intersection of physics, chemistry, materials science, and engineering. We develop and apply ab initio theory, as well as simpler models, to predict and understand phase behavior, spectroscopic phenomena, and transport properties of complex materials with minimal or without empirical input. We interact closely with experimental groups to guide and be inspired by studies of new materials, molecular systems, and novel phenomena in the context of quantum and clean energy applications, and to validate and further develop our understanding of condensed phase systems.

The Neaton Group is based in the Department of Physics at the University California, Berkeley, the Materials Sciences Division at Lawrence Berkeley National Laboratory, and the Kavli Energy NanoSciences Institute at Berkeley.