FPS Research

Research Index

Surface/Interface ScienceSurface/Interface Science

Surface Dynamics: Adsorption/Diffusion, H/Si(001)
Surface Dynamics: O2/Si(001)
Epitaxial Growth: cBN thin Films
Epitaxial Growth: GaAs
Molecular Intefaces: SAM on Au
Nano-Structured Surfaces: Ag Clusters on Bi nano-line template
Nano-Structured Surfaces: Ge hut-clusters on Si(001)
Nano-Structured Surfaces: Ultra-thin Bi film on Si(111)
Nano-Catalysts: Metal Clusters on Oxides
AFM: Tip Apex structures QM/MM

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Materials ScienceMaterials Science

Dielectric Materials: High-k materials, A12O3, HfO2, CeO2
Dielectric Materials: Low-k materials, SiOCH
Hydrogen & Defects: H & Vacancy in alpha-Fe
Extended Defects: Dislocations in Si, Misfit-DL
Organic Conductors
Half Metals: GW
Spin-crossover
Carbon clusters

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Electron DynamicsElectron Dynamics

Electron Transport: NEGF, CNT
Electron Transport: Al nano-wires
Molecular Electronics: BDT
Redox reactions
Excited States Dynamics: TDDFT

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Bio Systems Bio Systems

Carrier Doping into DNA
First-Principles Simulations of Bio-system

Code/MethodCode/Method

Nano-simulation system(FSIS): PHASE, UVSOR, ASCOT
Linear-scaling DFT code: CONQUEST
Linear-scaling DFT code: Open-MX
Multi-Scale Modeling: CAMUS

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