Computational Material Science and Nano Science Group
Lawrence Berkeley National Laboratory
Inorganic Nanocrystals: Semiconductor nanocrystals, heterostructures, electron and hole states, and excitons.
Surface,Interface,and Inorganic/organic attachment: Surface atomic structures, interface structures, and band alignments, organic/inorganic attachments.
Semiconductor Alloys, Amorphous and Impurities : Semiconductor alloys, impurity and defect levels, and amorphous electronic structures.
Elastic Quantum Transports : A unique plane wave nonlocal pseudopotential based quantum transport calculation method
Nano Semiconductor Devices: Atomistic simulations of nanosized semiconductor devices (CMOS, FET).
Carrier Dynamics: Carrier transport and carrier trapping in bulk defect system, nanostructure, and organic systems.
Organic Systems: Atomic structure of organic systems, electronic structure, state localization, and excitons.
Numerical Algorithm and Code Developments: Algorithm and code developments: PEtot, LS3DF, LCBB, Escan, PEtot_transport.