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  Topics

Topics cover (but not limited to):

[1]  Development in theory and computational method

[2] Bioinformatics and materials informatics

[3]   Materials for energy and environment

[4]   Nano biomaterials and biosystems

[5]  Nanodevices, transport and spintronics

[6]  Nanostructured materials

[7]  Oxide-based materials

[8]  Surface and interface


Sub-topics

Development in theory and computational method

o   new development in density functional theory

o   time-dependent density functional theory and related methods

o   developments of algorithms for excited state electronic structure theories

o   web-based computational research platform for materials research

o   Monte Carlo simulation of thermodynamic properties

o   phase field modelling, and etc.


Bioinformatics and materials informatics 

o   materials genome

o   application of informatics to process and interpret materials science or biological data

o   statistical learning method for materials design and discovery

o   development of new methodologies and tools to analysis the materials science or biological data

o   scientific data management and data mining

o   structural bioinformatics

 

Materials for energy and environment

o   nanomaterials for clean and sustainable technology

o   hydrogen and fuels cells

o   energy storage and novel generation

o   energy harvesting

 

Nano biomaterials and biosystems

o   molecular simulations of nano biomaterials and biological systems

o   ab initio approaches to biological phenomena

o   hybrid quantum mechanics / molecular mechanics (QM/MM) approaches to nano-bio interface and biomolecules

 

 Nanodevices, transport and spintronics

o   nano-materials for spintronics

o   semiconductor nanostuctures

o   diluted magnetic semiconductors

o   thermal transport

o   tunnel junctions

 

  Nanostructured materials

o   clusters, nanotubes, and nanowires

o   graphene and 2D related materials

o   organic and polymeric materials

 

Oxide-based materials

o   methodology for dielectric properties

o   defects in oxide materials

o   physical properties of oxide materials

 

Surface and interface

o   molecules interacting with liquid and solid surfaces

o   computational approaches to dynamics at surfaces

o   phenomena at the liquid-solid

o   interface between two different solids


 
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