Dr Yun Liem

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I have acquired substantial experience over the past 20 years in various aspects of computational chemistry:

  • algorithm development
  • parallelisation of molecular dynamics code for shared/distributed memory hardware
  • modelling of fluid flow
  • adsorption of metal particles on solid boundaries
  • catalysis on metal surface using first principle calculations
  • simulation of liquid water using multipolar potentials
  • development of multipolar potentials (QCTFF) using machine learn'ing


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