Michael Sullivan

Education

• Ph.D. University of Minnesota (1995.08 — 2000.04)
• B.A. Saint John's University (1991 — 1995)

Companies

• Adjunct Associate Professor National University of Singapore (NUS) (2017)
• Department Director Institute of High Performance Computing (2011)
• Adjunct Assistant Professor National University of Singapore (2007 — 2017)
• Assistant Programme Manager Institute of High Performance Computing (2004 — 2011)
• Research Fellow Singapore-MIT Alliance, National University of Singapore (2003 — 2004)
• Post-Doctoral Fellow Australian National University (2000 — 2002)

Honors and Memberships

• A*STAR Chemistry Club, President (2011-present)
• A*STAR Chemistry Club, Executive Committee (2008-present)
• Singapore Catalysis Society, Member (2009-present)
• American Chemical Society (1994-present) Organic, Industrial Chemistry and Computers in Chemistry Divisions
• St. John's University, All-College Honors (1995)
• St. John's University, Senior Chemistry Award (1995)
• St. John's University, Siehl Scholar (1992-1995)
• St. John's University, Presidential Scholar (1991-1995)
• Anoka Senior High School, Valedictorian/Top Student of Class (Rank: 1/600) (1991)

Skills

• High Performance Computing (HPC)
• Nanomaterials
• Molecular Dynamics

Other

Semiconductors, Modeling, Engineering, Mathematical Modeling, R&D, Spectroscopy, Drug Design, Materials, High Performance Computing, Physics, Computer Simulation, Research, Nanotechnology, Computational Chemistry, Scientific Computing, Chemistry, Materials Science

Publications:

• Quantum Chemical Analysis of para-Substitution Effects on the Electronic Structure of Phenylnitrenium Ions in the Gas Phase and Aqueous Solution Michael B. Sullivan, Kenneth Brown, Christopher J. Cramer, and Donald G. Truhlar. J. Am. Chem. Soc., 1998, 120, 11778 - 11783.
• Quantum Chemical Analysis of Heteroarylnitrenium Ions and Mechanisms for Their Self-Destruction Michael B. Sullivan and Christopher J. Cramer. J. Am. Chem. Soc., 2000, 122, 5588 - 5596.
• Structures of Reactive Nitrenium Ions: Time-Resolved Infrared Laser Flash Photolysis and Computational Studies of Substituted N-Methyl-N-arylnitrenium Ions Sanjay Srivastava, Patrick H. Ruane, John P. Toscano, Michael B. Sullivan, Christopher J. Cramer, Dominic Chiapperino, Elizabeth C. Reed, and Daniel E. Falvey. J. Am. Chem. Soc., 2000, 122, 8271 - 8278.
• meta and para Substitution Effects on the Electronic State Energies and Ring-Expansion Reactivities of Phenylnitrenes William T. G. Johnson, Michael B. Sullivan, and Christopher J. Cramer. Int. J. Quantum Chem., 2001, 85, 492-508.
• G3-RAD and G3X-RAD: Modified Gaussian-3 (G3) and Gaussian-3X (G3X) Procedures for Radical Thermochemistry David J. Henry, Michael B. Sullivan, and Leo Radom J.Chem. Phys., 2003, 118, 4849-4860.
• Heats of Formation of Alkali Metal and Alkaline Earth Metal Oxides and Hydroxides: Surprisingly Demanding Targets for High-Level ab Initio Procedures Michael B. Sullivan, Mark A. Iron, Paul C. Redfern, Jan M. L. Martin, Larry A. Curtiss, and Leo Radom. J. Phys. Chem. A, 2003, 107, 5617 - 5630.
• Structures and Thermochemistry of Calcium-Containing Molecules Naomi L. Haworth, Michael B. Sullivan, Angela K. Wilson, Jan M. L. Martin and Leo Radom. J. Phys. Chem. A, 2005 109, 9156 - 9168.
• Work function of (8,0) single-walled boron nitride nanotube at the open tube end Jia Zhang, Kian Ping Loh, Mu Deng, Michael B. Sullivan, Jianwei Zheng and Ping Wu J. Appl. Phys., 2006, 99, 104309.
• Theoretical Study on Polyimide-Cu(100)/Ni(100) Adhesion Jia Zhang, Michael B. Sullivan, Jianwei Zheng, Kian Ping Loh and Ping Wu Chem. Mater., 2006, 18, 5312-5316.
• Adsorption of molecular oxygen on the walls of pristine and carbon-doped (5,5) boron nitride nan otubes: Spin-polarized density functional study Jia Zhang, Kian Ping Loh, Jianwei Zheng, Michael B. Sullivan and Ping Wu Phys. Rev. B 2007, 75, 245301.
• Magnetic Molybdenum Disulfide Nanosheet Films Jia Zhang, Jia Mei Soon, Kian Ping Loh, Jianhua Yin, Jun Ding, Michael B. Sullivan and Ping Wu Nano Lett., 2007, 7, 2370-2376.
• One-Dimensional Iron-Cyclopentadienyl Sandwich Molecular Wire with Half Metallic, Negative Differential Resistance and High-Spin Filter Efficiency Properties Liping Zhou, Shuo-Wang Yang, Man-Fai Ng, Michael B. Sullivan, Vincent B.C. Tan, and Lei Shen J. Am. Chem. Soc., 2008, 130(12), 4023-4027.
• Spatial Effect of C-H Dipoles on the Electron Affinity of Diamond (100)-2×1 Adsorbed with Organic Molecules Hui Ying Hoh, Kian Ping Loh, Michael B. Sullivan, and Ping Wu ChemPhysChem, 2008, 9, 1338-1344. Abstract.
• Aggregation Dependent S1 and S2 Dual Emissions of Thiophene-Acrylonitrile-Carbazole Oligomer Xuanjun Zhang, Kian Ping Loh, Michael B. Sullivan, Zhi-Kuan Chen, and Minghui Liu Cryst. Growth Des., 2008, 8, 2543-2546. Abstract.
• Lithium monoxide anion: A ground-state triplet with the strongest base to date Zhixin Tian, Bun Chan, Michael B. Sullivan, Leo Radom, and Steven R. Kass Proc. Natl. Acad. Sci. USA, 2008, 105(22), 7647–7651. Abstract.
• Chemisorption-Induced Polarization of Boron Nitride Nanotube Jia Zhang, Kian Ping Loh, Ping Wu, Michael B. Sullivan, and Jianwei Zheng J. Phys. Chem. C, 2008, 112, 10279-10286. Abstract.
• Multiscale kinetic model for polarization switching in ferroelectric polymer thin films Rajeev Ahluwalia, Michael B. Sullivan, David J. Srolovitz, Jian Wei Zheng, and Alfred C. H. Huan Phys. Rev. B, 2008, 78, 054110. Abstract.
• Towards tuning of surface properties by atomic and molecular adsorption on boron-terminated cubic boron nitride (111) surface: A first-principles study Man-Fai Ng, Mui Kheng Teo, Kok Hwa Lim, Liping Zhou, Michael B. Sullivan and Shuo-Wang Yang Diamond Relat. Mater., 2008, 17, 2048-2053. Abstract.
• Study of Pd-Au bimetallic catalysts for CO oxidation reaction by DFT calculations Jia Zhang, Hongmei Jin, Michael B. Sullivan, Freda Chiang Huay Lim, and Ping Wu Phys. Chem. Chem. Phys., 2009, 11, 1441-1446. Abstract.
• Ping Wu, Valeri Ligatchev, Zhi Gen Yu, Jianwei Zheng, Michael B. Sullivan, and Yingzhi Zeng Defects in codoped NiO with gigantic dielectric response Phys. Rev. B, 2009, 79, 235122. Abstract.
• Benjamin Mintz, Bun Chan, Michael B. Sullivan, Thomas Buesgen, Anthony P. Scott, Steven R. Kass, Leo Radom and Angela K. Wilson Structures and Thermochemistry of the Alkali Metal Monoxide Anions, Monoxide Radicals, and Hydroxides J. Phys. Chem. A, 2009, 113, 9501-9510. Abstract.
• Hui Ying Hoh, Ti Ouyang, Michael B. Sullivan, Ping Wu, Milos Nesladek and Kian Ping Loh A HREELS and DFT Study of the Adsorption of Aromatic Hydrocarbons on Diamond (111) Langmuir, 2010, 26, 3286-3291. Abstract.
• Lei Shen, Hongmei Jin, Valeri Ligatchev, Shuo-Wang Yang, Michael B. Sullivan and Yuanping Feng Oxidization states of metal atoms in linear bimetallic multi-sandwich molecules Vn(FeCp2)(n+1) and magnetic moment enhancement mechanism of its 1D wire Phys. Chem. Chem. Phys., 2010, 12, 4555-4559. Abstract.
• Tyler B. Norsten, Eric Assen B. Kantchev, and Michael B. Sullivan Thiophene-Containing Pechmann Dye Derivatives Org. Lett., 2010, 12, 4816-4819. Abstract.
• L. P. Zhang, P. Wu, and M. B. Sullivan Hydrogen Adsorption on Rh, Ni, and Pd Functionalized Single-Walled Boron Nitride Nanotubes J. Phys. Chem. C, 2011, 115 4289-4296. Abstract.
• Charlotte A. E. Hauser, Rensheng Deng, Archana Mishra, Yihua Loo, Ulung Khoe, Furen Zhuang, Daniel W. Cheong, Angelo Accardo, Michael B. Sullivan, Christian Riekel, Jackie Y. Ying, and Ulrich A. Hauser Natural tri- to hexapeptides self-assemble in water to amyloid β-type fiber aggregates by unexpected α-helical intermediate structures Proc. Natl. Acad. Sci. USA, 2011, 108 1361-1366. Abstract.
• Eric Assen B. Kantchev, Huei Shuan Tan, Tyler B. Norsten, and Michael B. Sullivan O,O'-Disubstituted N,N'-Dihydroxynaphthalenediimides (DHNDI): First Principles Designed Organic Building Blocks for Materials Science Org. Lett., 2011, 13, 5432-5435. Abstract.
• Man-Fai Ng, Michael B. Sullivan, Shi Wun Tong, and Ping Wu First-Principles Study of Silicon Nanowire Approaching the Bulk Limit Nano Lett., 2011, 11, 4794-4799. Abstract.
• Eric Assen B. Kantchev, Tyler B. Norsten, Michael B. Sullivan Chemically accurate and computationally-efficient time-dependent density functional theory (TDDFT) modeling of the UV/Vis spectra of Pechmann dyes and related compounds Procedia Computer Science, 2011, 4, 1157-1166.. Abstract.
• D. Ding, K. Bai, W. D. Song, L. P. Shi, R. Zhao, R. Ji, M. Sullivan, and P. Wu Origin of ferromagnetism and the design principle in phase-change magnetic materials Phys. Rev. B, 2011, 84, 214416. Abstract.
• Eric Assen B. Kantchev, Tyler B. Norsten, Marilyn L. Y. Tan, Joey J. Y. Ng, Michael B. Sullivan Thiophene-Containing Pechmann Dyes and Related Compounds: Synthesis, and Experimental and DFT Characterisation Chem. Eur. J. 2012, 18, 695-708. Abstract.
• Eric Assen B. Kantchev, Tyler B. Norsten, Michael B. Sullivan Time-dependent density functional theory (TDDFT) modelling of Pechmann dyes: From accurate absorption maximum prediction to virtual dye screening Org. Bio. Chem. 2012, 10, 6682-6692. Abstract.
• Feng Gao,* Michael B. Sullivan,* Gulnara M. Kuramshina, Liangfeng Guo, Marc Garland Electronic Excitation of [(μ4-η2-alkyne)Rh4(CO)8(μ-CO)2]: An In Situ UV/Vis Spectroscopy, Spectral Reconstruction and DFT Study ChemPhysChem 2012, 13, 3139-3145. Abstract.
• Lei Shen, Minggang Zeng, Suchun Li, Michael B. Sullivan, and Yuan Ping Feng Electron transmission modes in electrically biased graphene nanoribbons and their effects on device performance Phys. Rev. B 2012, 86, 115419. Abstract.
• Tsz Sian Chwee and Michael B. Sullivan Adsorption studies of C6H6 on Cu (111), Ag (111), and Au (111) within dispersion corrected density functional theory J. Chem. Phys. 2012, 137, 134703. Abstract.
• Xin Luo, Michael B. Sullivan, and Su Ying Quek Atomic and electronic structures of strained bulk and thin film Bi2Se3 and Bi2Te3 from density functional theory with van der Waals interactions Phys. Rev. B 2012, 86, . Abstract.
• F.C.H. Lim, J. Zhang, H.M. Jin, M.B. Sullivan, P. Wu A Density Functional Theory study of CO oxidation on Pd-Ni alloy with sandwich structure Appl. Cat. A 2012, in press, . Abstract.
• Qiang Wang, Li Wei, Michael Sullivan, Shuo-Wang Yang, Yuan Chen Graphene layers on Cu and Ni (111) surfaces in layer controlled graphene growth RSC Advances, 2013, 3, 3046-3053. Abstract.
• Jiong Lu, Pei Shan Emmeline Yeo, Yi Zheng, Hai Xu, Chee Kwan Gan, Michael B. Sullivan, A.H. Castro Neto, and Kian Ping Loh Step Flow Versus Mosaic Film Growth in Hexagonal Boron Nitride J. Am. Chem. Soc., 2013, 135, 2368-2373. Abstract.
• H. Glowatzki, P. Sonar, S. P. Singh, A. M. Mak, M. B. Sullivan, W. Chen, A. T. S. Wee, and A. Dodabalapur Band Gap Tunable N-Type Molecules for Organic Field Effect Transistors J. Phys. Chem. C 2013, 117, 11530-11539. Abstract.
• Zheng Zhang, Yanguang Nie, Lu Shen, Jianwei Chai, Jisheng Pan, Lai Mun Wong, Michael Brian Sullivan, Hong Mei Jin, Shijie Wang Charge Distribution in the Single Crystalline Ti2AlN Thin Films Grown on MgO (111) Substrates J. Phys. Chem. C 2013, 117, 11656-11662 Abstract.