Andy Siu's Group

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Andy Siu's Group

What we do

Computational chemistry
Interactions of metal ions with ligands and clusters
Dynamic solute-solvent interactions on charge transfer phenomena
Imitating charge transfer processes in biological systems
Modeling 2D materials for water splitting reaction

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How we do

In-house high-performance computing clusters (16.7 TFLOPS)
Computational elucidation of reaction mechanism: transition state optimization, blue-moon ensemble, metadynamics
Ab initio molecular dynamics for anharmonic vibrational spectra by time-correlation function approach, ultrafast dynamics on solvation and electron delocalization
Strong local and international collaboration with experimental research groups
Enthusiastic research members ＼(≧▽≦)／

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