Michael B. Sullivan
Institute of High Performance Computing
1 Fusionopolis Way, #16-16, Connexis
Drive research in materials science and computational chemistry through my research expertise and leadership skills
2011-present Department Director, Materials Science and Engineering, Institute of High Performance Computing, Singapore
- Managed a team of more than 40 researchers including identifying research directions engaging potential collaborators, managing their budget and making hiring decisions
- Directed and managed industrial collaborations with local and multi-national companies
- Conducted computational research on catalysis, interfaces, organic electronic, and other materials and chemistry applications
- Supervised graduate students
2007-present Adjunct Assistant Professor, National University of Singapore, Singapore
2004-2011 Assistant Programme Manager and Team Leader, Computational Chemistry, Institute of High Performance Computing, Singapore
- Co-taught a course entitled "Computer-Aided Drug Design"
- Supervised students.
Advisor: Wu Ping
2003-2004 Research Fellow, Singapore-MIT Alliance, National University of Singapore, Singapore
- Performed novel research in development of new materials including metal-polymer interfaces, ferroelectric materials and high-k ceramics
- Managed team of about 10 researchers
- Assisted in the management of more than 30 researchers
- Directed and managed industrial collaborations with multi-national companies
- Represented IHPC to international visitors
- Supervised graduate students.
Advisor: Wu Ping
2000-2002 Postdoctoral Fellow, Research School of Chemistry, Australian National University, Canberra ACT Australia
- Studied apatite structures using plane wave density functional theory.
- Worked independently developing research projects and implementing those ideas.
- Teaching assistant for Atomistic Computer Modeling of Materials
class with MIT and Singapore universities. Duties included conducting
laboratory courses and handling students' questions.
Advisor: Leo Radom
- Performed state-of-the-art studies using computational chemistry on alkali and alkaline earth metal oxides and hydroxides and other relevant systems.
- Trained 6 new research group members in use of UNIX and computational chemistry.
- Designed and implemented Radom Group webpages using advanced techniques including cascading style sheets.
- Developed and implemented new ways of distributing information from a central server to group members.
- Exploited Perl to streamline research by creating scripts to perform common tasks from extracting data out of output files to submitting jobs. Included use of MySQL database.
- Maintained 3 AIX workstations and 8 personal computers running Mac OS and Mac OS X, in addition to various hardware and software upgrades.
1995-2000 Ph.D. in Chemistry, University of Minnesota, Minneapolis
Advisor: Christopher J. Cramer
Thesis Title: "Quantum Chemical Analysis of Fischer Carbenes and Arylnitrenium Ion in the Gas Phase and Aqueous Solution"
1991-1995 B.A. cum laude in Chemistry, St. John's University, Collegeville, MN
- Computational studies of open-shell organic molecules, particularly arylnitrenium ions.
- Teaching Assistant for undergraduate organic classes and graduate level computational chemistry classes. These courses included a 15 minute introduction to the lab each week, careful grading, and instruction of 16 students.
- Configured and maintained 1 AIX and 3 IRIX workstations. Developed and implemented security policies for users of these workstations. Configured email and webserver for users.
- Directed spending of $USD15,000 in computer-related purchases and executed these upgrades.
- Maintained 8 personal computers running Mac OS.
- Teaching Assistant for general, organic and physical chemistry laboratories. Duties included demonstrating proper technique, grading, and instructing students.
- Shift supervisor in university cafeteria. Directed 12 workers in serving and cleaning duties as well as dealing with customers.
1991 Diploma, Anoka Senior High School, Anoka, MN
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)
- 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. DOI: 10.1002/cphc.200800105
- 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. DOI: 10.1021/cg800190w
- 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), 76477651.
Abstract. DOI: 10.1073/pnas.0801393105
- 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. DOI: 10.1021/jp8015722
- 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. DOI: 10.1103/PhysRevB.78.054110
- 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. DOI: 10.1016/j.diamond.2008.07.003
- 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
Phys. Chem. Chem. Phys., 2009, 11, 1441-1446.
Abstract. DOI: 10.1039/b814647k
- 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. DOI: 10.1103/PhysRevB.79.235122
- 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. DOI: 10.1021/jp9034826
- 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. DOI: 10.1021/la9030359
- 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. DOI: 10.1039/b927272k
- Tyler B. Norsten, Eric Assen B. Kantchev, and Michael B. Sullivan
Thiophene-Containing Pechmann Dye Derivatives
Org. Lett., 2010, 12, 4816-4819.
Abstract. DOI: 10.1021/ol1019772
- 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. DOI: 10.1021/jp1078554
- 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. DOI: 10.1073/pnas.1014796108
- 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. DOI: 10.1021/ol201906z
- 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. DOI: 10.1021/nl2026212
- 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. DOI: 10.1016/j.procs.2011.04.124
- 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. DOI: 10.1103/PhysRevB.84.214416
- 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. DOI: 10.1002/chem.201101903
- 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. DOI: 10.1039/C2OB25806D
- 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. DOI: 10.1002/cphc.201200206
- 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. DOI: 10.1103/PhysRevB.86.115419
- 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. DOI: 10.1063/1.4755993
- 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. DOI: 10.1103/PhysRevB.86.184111
- 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. DOI: 10.1016/j.apcata.2012.11.015
- 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. DOI: 10.1039/C2RA23105K
- 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. DOI: 10.1021/ja3117735
- 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. DOI: 10.1021/jp311092s
- 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. DOI: 10.1021/jp402373k