Computational Science Center at KIST
was organized to understand the phenomena in nano & bio system using scientific computation in atomic or subatomic scale.
We vision ourselves to be the National Research Hub for Computational Nano-Bio Science in 2014 thru
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Understanding our center better

Research Groups
1. High Performance Computing and Bio Simulation Group
- Massive computing environment
- Development and application of optimization algorithm
- Development of Nano-simuloscope
- All-atom de novo protein folding with scalable evolutionary algorithm
- Protein-ligand docking simulation
2. Surface and Interface Phenomena Research Group
- Atomic structure of amorphous carbon films
- Interfacial structure of thin film multilayer
- Surface structure evolution by ion irradiation
- Dynamic simulation of surface oxidation
- Structure and properties of nanoclusters
- Interfacial properties of CNT/Me composite
3. Novel Materials Design Research Group
- Materials design and development for spintronics application
- Search for new functional materials for clean energy
- Strain effects on the structure and properties nano materials and devices
- Microstructure optimization of advanced steel
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