Research Topics

Molecular-level Virtual Reactor Working on First principles (National Research Foundation of Korea project)

  • posted 2016-10-25 20:41:29 by cmmm
  • •Combining fast molecular dynamics (MD) simulations with accurate quantum mechanical (DFT) calculationsto accommodate larger, reaction occurring systems •Applications for acid-base systems, proton transfer membrane, CO2 absorption process, and other chemical reactions
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Low Power Nanoelectronic Device (Global Frontier project)

  • posted 2016-10-25 20:31:51 by cmmm
  • •High speed, low resistance materials beyond silicon based electronics:  Molecule or 2D  materials based new device structure •Modulation of materials and interface: Highly efficient electron transport by tuning energy level alignment
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Polymer Electrolyte Membrane Fuel Cells (PEMFCs) (Hyundai Industrial-Academic Research)

  • posted 2016-10-25 20:30:29 by cmmm
  • •Understanding mass transport in nanoscale using molecular dynamics simulations. •Searching for a guide to design materials with better transport properties. •Evaluate understanding/modeling physical behavior using simulations.
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CO2 Capture and Storage (Korea CCS project)

  • posted 2016-10-25 15:40:13 by cmmm
  • •Provide against global warming, reducing greenhouse gases is necessary. •CO2 can be captured by amine solvent as absorbent from post combustion and converged to useful materials. •Our goal is developing the high performance absorbent and convergence method based on the multi-step modeling.
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