Institute of High Performance Computing

• Directors
• Computing Science (CS)
• Electronics & Photonics (EP)
• Engineering Mechanics (EM)
• Fluid Dynamics (FD)
• Material Science & Engineering (MSE)
• IHPC Independent Investigatorship (I³)

Material Science & Engineering (MSE)

Dr. Amy K. H. KHOO

• Title: Scientist
• Tel: 64191309
• Email: khookh@ihpc.a-star.edu.sg

Research Interests:

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• Theoretical studies of electron transport across nanostructures
• DFT simulations of STM and Raman/IR scattering from nanoscale systems
• Ab initio molecular dynamics studies of disordered systems

Qualifications:

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• B.Sc. (Hons) in Physics from National University of Singapore
• M.Sc. in Physics from National University of Singapore
• Ph.D. in Physics from University of California at Berkeley

Published Journals/ Articles:

Journals

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• K. H. Khoo, A. T. Zayak, H. Kwak, and J. R. Chelikowsky, “First-principles study of confinement effects on the Raman spectra of Si nanocrystals”, Phys. Rev. Lett. 105, 115504 (2010).
• K. H. Khoo, M. Kim, G. Schofield, and J. R. Chelikowsky, “Ab initio molecular dynamics simulations using a Chebyshev-filtered subspace iteration technique”, Phys. Rev. B 82, 064201 (2010).
• K. H. Khoo and J. R. Chelikowsky, “Electron transport across carbon nanotube junctions decorated with Au nanoparticles: Density functional calculations”, Phys. Rev. B 79, 205422 (2009).
• K. H. Khoo, J. B. Neaton, Y. W. Son, M. L. Cohen, and S. G. Louie, “Negative differential resistance in carbon atomic wire-carbon nanotube junctions”, Nano Lett. 8, 2900 (2008).
• K. H. Khoo, J. B. Neaton, H. J. Choi, and S. G. Louie, “Contact dependence of the conductance of H₂ molecular junctions from first principles”, Phys. Rev. B 77, 115326 (2008).
• Y. Y. Wang, R. Yamachika, A. Wachowiak, M. Grobis, K. H. Khoo, D. H. Lee, S. G. Louie, and M. F. Crommie, “Novel Orientational Ordering and Re-entrant Metallicity in K_xC₆₀ Monolayers for 3 ≤ x ≤ 5”, Phys. Rev. Lett. 99, 086402 (2007).
• A. Wachowiak, R. Yamachika, K. H. Khoo, Y. Wang, M. Grobis, D. H. Lee, S. G. Louie, and M. F. Crommie, “Visualization of the molecular Jahn-Teller effect in an insulating K₄C₆₀ monolayer”, Science 310, 468 (2005).
• J. B. Neaton, K. H. Khoo, C. D. Spataru, and S. G. Louie, “Electron transport and optical properties of carbon nanostructures from first principles”, Comput. Phys. Commun. 169, 1 (2005).
• M. Grobis, K. H. Khoo, R. Yamachika, X. H. Lu, K. Nagaoka, S. G. Louie, M. F. Crommie, H. Kato, and H. Shinohara, “Spatially dependent inelastic tunneling in a single metallofullerene”, Phys. Rev. Lett. 94, 136802 (2005).
• X. H. Lu, M. Grobis, K. H. Khoo, S. G. Louie, and M. F. Crommie, “Charge transfer and screening in individual C₆₀ molecules on metal substrates: A scanning tunneling spectroscopy and theoretical study”, Phys. Rev. B 70, 115418 (2004).
• K. H. Khoo, M. S. C. Mazzoni, S. G. Louie, “Tuning the electronic properties of boron nitride nanotubes with transverse electric fields: A giant dc Stark effect”, Phys. Rev. B 69, 201401(R) (2004).
• X. H. Lu, M. Grobis, K. H. Khoo, S. G. Louie, and M. F. Crommie, “Spatially mapping the spectral density of a single C₆₀ molecule”, Phys. Rev. Lett. 90, 096802 (2003).
• K. H. Khoo and H. K. Sy, “Mean-field renormalization group study of the long-range Ising model”, J. Phys.: Condens. Matter 13, 101 (2001).

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Conferences

• M. Grobis, K. H. Khoo, R. Yamachika, X. H. Lu, K. Nagaoka, S. G. Louie, H. Kato, H. Shinohara, and M. F. Crommie, “Spatially dependent inelastic tunneling in Gd@C₈₂”, Electronic Properties of Novel Nanostructures 786, 8 (2005).
• M. Grobis, X. H. Lu, K. H. Khoo, S. G. Louie, and M. F. Crommie, “Energy resolved imaging of fullerene molecular orbitals”, Scanning Tunneling Microscopy/Spectroscopy and Related Techniques 696, 20 (2003).