Institute of High Performance Computing

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People

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Material Science & Engineering (MSE)

Dr. Adrian Matthew MAK Weng Kin

Dr. Adrian Matthew MAK Weng Kin


Research Interests:

    Electronic Structure Methods
    Part of my array of research interests lie in the development of novel electronic structure methods, using principles from numerical methods, physical chemistry and quantum mechanics, and the efficient implementation of such methods in software packages for computational chemistry, for use in the calculation and prediction of molecular properties.
     
  • Clean Energy
    The current backdrop where advanced economies are seeking less dependence on traditional sources of energy provides motivations for developing technologies that provide clean energy for consumption. Catalysts for light mediated four-electron oxidation of water into oxygen, and organic light-absorbing dyes for solar cells form broad themes of my current research interests in clean energy.
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  • Electronic Structure Methods Part of my array of research interests lie in the development of novel electronic structure methods, using principles from numerical methods, physical chemistry and quantum mechanics, and the efficient implementation of such methods in software packages for computational chemistry, for use in the calculation and prediction of molecular properties.  
  • Clean Energy The current backdrop where advanced economies are seeking less dependence on traditional sources of energy provides motivations for developing technologies that provide clean energy for consumption. Catalysts for light mediated four-electron oxidation of water into oxygen, and organic light-absorbing dyes for solar cells form broad themes of my current research interests in clean energy.
  • Qualifications:

    •     B.Sc. National University of Singapore (2002)
    •     Ph.D. National University of Singapore (2007)
    •     Post-Doctoral Fellow, University of California, Berkeley (2009-2011)

    Published Journals/ Articles:

    Journals

      •  “Approximate Spin-Projected Broken Symmetry Energies from Optimized Orbitals that are Unrestricted in Active Pairs”, Mak, A. M.; Lawler, K. V.; Head-Gordon, M. Chem. Phys. Lett. 2011, 515. 173.
         
      •  “Homolytic S-S bond dissociation of 11 bis(thiocarbonyl)disulfides R-C(=S)-S-S-C(=S)R and prediction of a novel rubber vulcanization accelerator.” Mak, A. M.; Steudel, R.; Wong, M. W. Chem. Asian J. 2008, 3, 1026.
         
      •  “Reaction of the radical pair NO2 and CO3— with 2-[6-(4"-amino)phenoxy-3H-xanthen-3-on-9-yl]benzoic acid (APF).” Mak, A. M.; Whiteman, M.; Wong, M. W. J. Phys. Chem. A 2007, 111, 8202.
         
      •  “Homolytic dissociation of the vulcanization accelerator tetramethylthiuram disulfide (TMTD) and structures and stabilities of the related radicals Me2NCSn (n = 1-4).” Steudel, R.; Steudel, Y.; Mak, A. M.; Wong M. W. J. Org. Chem. 2006, 71, 9302.
         
      •  “Thermochemistry of reactive nitrogen oxide species and reaction enthalpies for decomposition of ONOO— and ONOOH.” Mak, A. M.; Wong, M. W. Chem. Phys. Lett. 2005, 403, 192.

       

    Conferences

      Representative Oral Presentations

      • “Approximate Spin-Projected Broken Symmetry Energies from Optimized Orbitals that are Unrestricted in Active Pairs”, Mak, A. M.; Lawler, K. V.; Head-Gordon, M.
        APCTCC-5, 5th Asian Pacific Conference of Theoretical and Computational Chemistry 2011, Rotorua, New Zealand
         
      • “Localized orbital bond analysis of the Mn4OxCa cluster in Photosystem II”, Mak, A. M.; Yano, J.; Kern, J.; Yachandra, V. K.; Head-Gordon, M.
        Pacifichem 2010, International Congress of Pacific Basin Societies, 2010, Honolulu, HI, USA

    This page is last updated at: 19-APR-2012