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. HO Junming

• Title: Scientist
• Tel: 64191337
• Email: hojm@ihpc.a-star.edu.sg

Research Interests:

 
• First-principles Prediction of Solution-phase pKas and Reduction Potentials
• Hybrid Quantum Mechanical/Molecular Mechanical Methods
• Physical Organic Chemistry

Qualifications:

 
• B.Sc. (Chemistry), University of Western Australia (2001)
• B.Sc. (Chemistry Hons I), Australian National University (2002)
• Ph.D. (Chemistry), Australian National University (2011)

Published Journals/ Articles:

Journals

• Guimard, N. K.; Ho, J.; Brandt, J.; Lin, C. Y.; Namazian, M.; Mueller, J. O.; Oehlenschlaeger, K. K.; Hilf, S.; Lederer, A.; Schmidt, F. G.; Coote, M. L.; Barner-Kowollik, C. Harnessing Entropy to Direct the Bonding/Debonding of Polymer Systems Based on Reversible Chemistry. Chem. Sci. (2013), in press.
• Pasfield, L. A.; de la Cruz, L.; Ho, J.; Coote, M. L.; Otting, G.; McLeod, M. D. Synthesis of Panduratin A and 
related Natural Products Using the High-Pressure Diels-Alder Reaction. Asian J. Org. Chem. (2013), 60-63

• Ho, J.; Lee, W. Y.; Koh, K. J.; Lee, P.F. P.; Yan, Y.-K. Rhenium(I) Tricarbonyl Complexes of Salicylaldehyde 
Semicarbazones: Synthesis, Crystal Structures and Cytotoxicity. J. Inorg. Biochem. (2013), 119, 10-20.

• Heinrich, N.; Willis, A. C.; Cade, I. A.; Ho, J.; Coote, M. L.; Banwell, M. G. Reversible Cyclopropane Ring- Cleavage Reactions within Etheno-Bridged [5.3.1]Propelladiene Frameworks Leading to Aza- and Oxa- [5.6.5.6]Fenestratetraenes Chem. Eur. J. (2012), 18, 13585-13588.

• Biegasiewicz, K. F.; Ingalsbe, M. L.; St. Denis, J. D.; Gleason, J. L; Ho, J.; Coote, M. L.; Savage, G. P.; Priefer, R. Evaluation of a Chiral Cubane-Based Schiff Base Ligand in Asymmetric Catalysis Reactions. Beilstein J. Org. Chem. (2012), 8, 1814-1818.

• Gordon, D.; Chen, R.; Ho, J.; Coote, M. L.; Chung, S. H. Rigid Body Brownian Dynamics as a Tool for Studying Ion Channel Blockers J. Phys. Chem. B (2012), 116, 1933-1941.

• Lu, D.; Coote, M. L.; Ho, J.; Kilah, N. L.; Lin, C. Y.; Salem, G.; Weir, M. L.; Willis, A.C.; Wild, S.B. Synthesis and Resolution of (+/-)-Arsenicin A: A Natural Adamantane-Type Tetraarsenical Possessing Strong Anti-Acute Promelocytic Leukemia (APL) Cell Line Activity, Organometallics (2012), 31, 1808-1816.

• Ho, J.; Coote, M. L. First-principles Prediction of Acidities in the Gas and Solution Phase. Comp. Mol. Sci. (2011), 1, 649-660.

• Ho, J.; Coote, M. L.; Easton, C. J. Validation of the Distal Effect of Electron-withdrawing Groups on the Stability of Peptide Enolates. J. Org. Chem. (2011), 76, 5907-5914.

• Ho, J.; Coote, M. L.; Easton, C. J. The Distal Effect of Electron-withdrawing Groups on the Stability of Peptide Carbon Radicals. Aust J. Chem. (2011), 64, 403-408.

• Ho, J.; Easton, C. J.; Coote, M. L. The Distal Effect of Electron-withdrawing Groups and Hydrogen Bonding on the Stability of Peptide Enolates. J. Am. Chem. Soc. (2010), 132, 5515-5521.

• Ho, J.; Klamt, A.; Coote, M. L. Comment on the Correct Use of Continuum Solvent Models. J. Phys. Chem. A (2010), 114, 13442-13444.

• Ho, J. ; Coote, M. L.; Franco-Perez, M.; Gomez-Balderas, R. First-principles Prediction of the pKas of Anti- inflammatory Oxicams. J. Phys Chem. A (2010), 114, 11992-12003.

• Ho, J.; Coote, M. L. A Universal Approach for Continuum Solvent pKa Calculation: Are We There Yet? Theor. Chem. Acc. (2010), 125, 3-21. (Most cited paper in 2010-11)

• Ho, J.; Coote, M. L. pKa Calculation of Some Biologically Important Carbon Acids – an Assessment of Contemporary Theoretical Procedures. J. Chem. Theory Comput. (2009), 5, 295-306.

• Fan, Y. Ho, J.; Bettens, R. P. A. Approximating Coupled Cluster Vibrational Frequencies with Composite Methods. J. Phys Chem. A (2006), 110, 2796-2800.

Conferences

�

• 2011 - Master Class (Workshop) Presentation: First-principles Prediction of Acidities in the Gas and Solution Phase; atBioPhysChem, Wollongong, Australia
• 2011 - Oral Presentation: Validation of the Distal Effect of Electron-withdrawing Groups on the Stability of Peptide Enolates and its Exploitation in Synthesis; at BioPhysChem, Wollongong, Australia
• 2011 - Oral Presentation: Predicting pK_a: Theory and Applications; at 9^th World Association of Theoretical and Computational Chemists, Santiago de Compostela, Spain
• 2011 - Oral Presentation: The Distal Effect of Electron-withdrawing Group on the Stability of Peptide Enolates; at 20^th International Conference on Physical Organic Chemistry, Busan, Korea
• 2008 - Oral presentation: Unusual Distal Effect of Electron-withdrawing Groups and Hydrogen Bonding on the Stability of Peptide Enolates; at 4^th Asian Pacific Conference of Theoretical and Computational Chemistry, Port Dickson, Malaysia
• 2008 - Poster presentation: Proton Transfer at Carbon; at 8^th World Association of Theoretical and Computational Chemists, Sydney, Australia

Book Chapter(s)

 

• Ho, J.; Coote, M. L.; Cramer, C. J; Truhlar, D. G. Theoretical Calculation of Reduction Potentials. In Organic
 Electrochemistry, 5th Edition, Hammerich, O., Speiser, B., Eds. Taylor and Francis, in press.