Computational Material Science and Nano Science Group

Lawrence Berkeley National Laboratory

      home

      people

      research

      publications

      software

      gallery

      forum

      news

      presentation

      contact

      links

 
Crystal Structures Library
Research
 

 

 

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.

 
     Computational Material Science and Nano Science
One Cyclotron Road,Mail Stop 66, Berkeley, CA 94720