Research

Our group is engaged in research in the fields of theoretical condensed matter physics and materials science. Our research covers a broad range of materials systems, from bulk materials (metals, semiconductors, and insulators) to those of finite size, such as organic and inorganic nanostructures, to complex multifunctional oxides; phenomena of interest include optical properties, superconductivity, conductance of nanostructures at finite bias, pressure and temperature effects, and dynamics. Particular emphasis is placed on the study of the role of many-particle effects in determining experimentally observed properties.

Our primary goal is to understand and predict materials properties at the most fundamental level using atomistic first principles (or "ab initio" ) quantum-mechanical calculations. A variety of different computational approaches are used that require only the atomic number and positions as input. These first principles methods have, in the past, resulted in excellent quantitative agreement with experiment and have predicted with good accuracy materials properties that were later verified experimentally.

We present below some highlights on recent research projects. For more details, please see our list of publications.

Probing excitonic dark states in single-layer tungsten disulphide
Optical properties of molybdenum dichalcogenides
First-principles calculations of spin fluctuations
Photoelectron spin flipping and spin transport in topological insulators
Ab Initio Study of Hot Carriers
Structures and electronic transport properties of polycrystalline graphene
Recent developments in GW-BSE methodologies and their applications
BerkeleyGW: A Massively Parallel Computer Package for the Calculation of the Quasiparticle and Optical Properties of Materials and Nanostructures
Surface Atom Motion to Move Iron Nanocrystals through Constrictions in Carbon Nanotubes under the Action of an Electric Current
Electron-phonon coupling: first-principles method and applications

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