Associate Professor David Huang

Associate Prof/Reader

School of Physics, Chemistry and Earth Sciences

Faculty of Sciences, Engineering and Technology

Eligible to supervise Masters and PhD - email supervisor to discuss availability.

I use theory and computation to study condensed phase phenomena in chemistry and materials science on the molecular and nano scales. I am particularly interested in devising ways to control the properties of soft matter for applications in renewable energy and functional materials.

My Research
Career
Publications
Grants and Funding
Teaching
Supervision
Professional Activities
Contact

Soft Condensed Matter Theory and Computation

Research group website: https://huang-lab.org/

Coarse-Grained Molecular Dynamics

Many phenomena in soft condensed matter, such as supramolecular assembly of macromolecules, occur on length and/or time scales that are unfeasible to study theoretically or computationally if every atom in the system is represented explicitly. We are developing and applying new methods, using tools from statistical mechanics and machine learning, to simplify the representation of molecular systems in dynamical simulations by systematically eliminating unimportant degrees-of-freedom to improve computational efficiency without sacrificing accuracy. The end goal is to enable accurate simulations with molecular-level detail of large-scale dynamical processes that would be otherwise inaccessible by conventional techniques.

coarse-grained benzene

Organic Electronics

Carbon-based organic semiconductors are promising alternatives to conventional inorganic semiconductors such as silicon in electronic devices, especially when low cost, light weight, or flexibility is desired. They can also enhance inorganic semiconductor devices, e.g. by improving light harvesting in silicon solar cells. But organic-semiconductor devices are generally less efficient and their performance is often variable and hard to predict, largely because these materials are typically highly disordered, which can greatly impact device properties. We are using a combination of classical and quantum simulations to understand how structural and electronic properties of organic semiconductors can be controlled to enhance device performance.

exciton transport in conjugated polymers

Nanofluidics

The dynamics of liquids when they are confined by surfaces on the nano scale can deviate significantly from those at the macroscopic level. In particular, due to high surface-to-volume ratios, interface effects can dominate flow phenomena. We are using statistical mechanics and fluid dynamics to understand how molecular-scale surface interactions can be exploited to control nano-scale fluid flows, with a focus on applications to electrokinetic energy conversion processes.

transmembrane mixing

Open Positions

I am always looking for talented students and postdoctoral researchers to join my research group. If you are interested in joining the group, please send me your CV (and academic transcripts for students), along with a brief description of your research interests.

Appointments

Date	Position	Institution name
2018 - ongoing	Associate Professor	The University of Adelaide
2014 - 2017	Senior Lecturer	The University of Adelaide
2010 - 2013	Lecturer	The University of Adelaide
2008 - 2010	Postdoctoral scholar	University of California, Davis
2006 - 2008	Postdoctoral researcher	University of Lyon
2002 - 2004	Freelance copy-editor	Springer Verlag

Awards and Achievements

Date	Type	Title	Institution Name	Country	Amount
2019	Fellowship	Centre National de la Recherche Scientifique (CNRS) travel fellowship	Centre National de la Recherche Scientifique (CNRS)	France	-
2016	Teaching Award	Australian Awards for University Teaching - Citation for Outstanding Contributions to Student Learning	Australian Government Department of Education and Training	Australia	-
2016	Teaching Award	RACI Chemical Education Division Citation	Royal Australian Chemical Institute	Australia	-
2015	Teaching Award	Commendation for Excellence in the Support of the Student Experience	The University of Adelaide	Australia	-
2014	Teaching Award	Executive Dean of Sciences Excellence in Teaching Award (Teaching Team)	The University of Adelaide	Australia	-
2013	Teaching Award	Exectuvie Dean of Sciences Excellence in Teaching Award (Early Career)	The University of Adelaide	Australia	-
1998	Scholarship	Fulbright Postgraduate Student Award	Fulbright Association	United States	-

Language Competencies

Language Competency
English Can read, write, speak, understand spoken and peer review
French Can read, write, speak, understand spoken and peer review

Language	Competency
English	Can read, write, speak, understand spoken and peer review
French	Can read, write, speak, understand spoken and peer review

Education

Date	Institution name	Country	Title
2004 - 2005	University of Technology, Sydney	Australia	Grad Dip
1998 - 2002	University of California, Berkeley	USA	PhD
1994 - 1997	University of Sydney	Australia	BSc (Hons)

Research Interests

Analytical Chemistry Chemical Physics Chemical Sciences Chemical Thermodynamics and Energetics Colloid and Surface Chemistry Condensed Matter Modelling Condensed Matter Modelling and Density Functional Theory Functional Materials Organic Semiconductors Physical Chemistry Physical Chemistry of Materials Radiation and Matter Soft Condensed Matter Statistical Mechanics in Chemistry Theoretical and Computational Chemistry Theory and Design of Materials Thermodynamics and Statistical Physics Transport Properties and Non-equilibrium Processes

Journals

Year	Citation
2023	Vieira de Castro, T., Huang, D. M., Sumby, C. J., Lawrence, A. L., & George, J. H. (2023). A bioinspired, one-step total synthesis of peshawaraquinone. Chemical Science, 14(4), 950-954. DOI Scopus1 WoS1
2023	Wilson, M. O., & Huang, D. M. (2023). Anisotropic molecular coarse-graining by force and torque matching with neural networks. The Journal of Chemical Physics, 159(2), 024110-1-024110-15. DOI
2023	de la Perrelle, J. M., Tapping, P. C., Schrefl, E., Stuart, A. N., Huang, D. M., & Kee, T. W. (2023). Singlet fission preserves polarisation correlation of excitons. Physical Chemistry Chemical Physics, 25(9), 1-13. DOI Scopus1 WoS2 Europe PMC1
2023	Howell, S. A., Koodalingam, M., Jang, J., Ranasinghe, C. S. K., Gao, M., Chu, R., . . . Puttock, E. V. (2023). Twisted Carbazole Dendrons for Solution-Processable Green Emissive Phosphorescent Dendrimers.. ACS Appl Mater Interfaces, 15(10), 13393-13404. DOI Scopus2 WoS2
2023	Forecast, R., Gholizadeh, E. M., Prasad, S. K. K., Blacket, S., Tapping, P. C., McCamey, D. R., . . . Schmidt, T. W. (2023). Power Dependence of the Magnetic Field Effect on Triplet Fusion: A Quantitative Model. The Journal of Physical Chemistry Letters, 14(20), 4742-4747. DOI Scopus1 WoS1
2023	Rankin, D. J., Bocquet, L., & Huang, D. M. (2023). Erratum: "Entrance effects in concentration-gradient-driven flow through an ultrathin porous membrane" [J. Chem. Phys. 151, 044705 (2019)].. J Chem Phys, 159(5), 1 page. DOI
2023	Packman, L., Mallo, N., Raynor, A., Gao, M., Babazadeh, M., Jin, H., . . . Shaw, P. E. (2023). The impact of film deposition and annealing on the nanostructure and dielectric constant of organic semiconductor thin films.. Physical Chemistry Chemical Physics, 25(35), 23867-23878. DOI Scopus1 WoS2
2023	Rankin, D. J., & Huang, D. M. (2023). Non-equilibrium molecular dynamics of steady-state fluid transport through a 2D membrane driven by a concentration gradient.. The Journal of chemical physics, 159(21), 214705. DOI
2022	Jiang, W., Jin, H., Babazadeh, M., Loch, A. S., Raynor, A., Mallo, N., . . . Shaw, P. E. (2022). Dielectric constant engineering of organic semiconductors: effect of planarity and conjugation length. Advanced Functional Materials, 32(3), 2104259-1-2104259-14. DOI Scopus9 WoS7
2022	Stuart, A., Tapping, P., Kee, T., & Huang, D. (2022). Pitfalls of quantifying intersystem crossing rates in singlet-fission chromophore solutions. DOI
2022	Zur Bonsen, A. B., Peralta, R. A., Fallon, T., Huang, D. M., & George, J. H. (2022). Intramolecular Tricarbonyl-Ene Reactions and α-Hydroxy-β-Diketone Rearrangements Inspired by the Biosynthesis of Polycyclic Polyprenylated Acylphloroglucinols. Angewandte Chemie International Edition, 61(34), 1-10. DOI Scopus1 WoS1 Europe PMC1
2022	Flint, K. L., Huang, D. M., Linder‐Patton, O. M., Sumby, C. J., & Keene, F. R. (2022). Synthesis of Triple‐Stranded Diruthenium(II) Compounds. European Journal of Inorganic Chemistry, 2022(25), 1-11. DOI Scopus1 WoS1
2022	Flint, K. L., Huang, D. M., Linder‐Patton, O. M., Sumby, C. J., & Keene, F. R. (2022). Front Cover: Synthesis of Triple‐Stranded Diruthenium(II) Compounds (Eur. J. Inorg. Chem. 25/2022). European Journal of Inorganic Chemistry, 2022(25). DOI
2022	Stuart, A. N., Tapping, P., Kee, T., & Huang, D. M. (2022). Pitfalls of quantifying intersystem crossing rates in singlet-fission chromophore solutions. The Journal of Chemical Physics, 157(8), 1-12. DOI Scopus2
2022	Dolan, A., de la Perrelle, J. M., Small, T. D., Milsom, E. R., Metha, G. F., Pan, X., . . . Kee, T. W. (2022). Surfactant Effects on Hydrogen Evolution by Small-Molecule Nonfullerene Acceptor Nanoparticles. ACS Applied Nano Materials, 5(9), 12154-12164. DOI Scopus4 WoS4
2022	De La Perrelle, J. M., Dolan, A., Milsom, E. R., Small, T. D., Metha, G. F., Pan, X., . . . Kee, T. W. (2022). Red-Light-Mediated Photocatalytic Hydrogen Evolution by Hole Transfer from Non-Fullerene Acceptor Y6. The Journal of Physical Chemistry C, 126(34), 14518-14528. DOI Scopus2 WoS2
2022	Boehm, B., McNeill, C., & Huang, D. (2022). Competing single-chain folding and multi-chain aggregation pathways control solution-phase aggregate morphology of organic semiconducting polymers. DOI
2022	Boehm, B. J., McNeill, C. R., & Huang, D. M. (2022). Competing single-chain folding and multi-chain aggregation pathways control solution-phase aggregate morphology of organic semiconducting polymers. Nanoscale, 48(48), 18070-18086. DOI Scopus4 WoS4
2022	French, S. A., Sumby, C. J., Huang, D. M., & George, J. H. (2022). Total Synthesis of Atrachinenins A and B. Journal of the American Chemical Society, 144(50), 22844-22849. DOI
2022	Boehm, B., & Huang, D. (2022). A simple predictor of interface orientation of fluids of disk-like anisotropic particles and its implications for organic semiconductors. DOI
2022	Boehm, B., & Huang, D. (2022). A simple predictor of interface orientation of mesogenic fluids and its implications for organic semiconductors. DOI
2022	Huang, D., & Nguyen, H. (2022). Systematic Bottom-Up Molecular Coarse-Graining via Force Matching using Anisotropic Particles. DOI
2022	Boehm, B. J., & Huang, D. M. (2022). A simple predictor of interface orientation of fluids of disk-like anisotropic particles and its implications for organic semiconductors. Soft Matter, 18(9), 1843-1-1843-15. DOI Scopus2 WoS2
2022	Hudson, R. J., Stuart, A. N., Huang, D. M., & Kee, T. W. (2022). What Next for Singlet Fission in Photovoltaics? The Fate of Triplet and Triplet-Pair Excitons. The Journal of Physical Chemistry C, 126(12), 5369-5377. DOI Scopus12 WoS11
2022	Nguyen, H. T. L., & Huang, D. M. (2022). Systematic bottom-up molecular coarse-graining via force and torque matching using anisotropic particles. The Journal of Chemical Physics, 156(18), 1-19. DOI Scopus8 WoS8 Europe PMC1
2022	Huang, D., & Nguyen, H. (2022). Systematic bottom-up molecular coarse-graining via force and torque matching using anisotropic particles. DOI
2022	Puttock, E., Ranasinghe, C. S. K., Babazadeh, M., Kistemaker, J. C. M., Jang, J., Gao, M., . . . Shaw, P. E. (2022). Thermally activated delayed fluorescence poly(dendrimer)s - detrapping excitons for reverse intersystem crossing. Journal of Materials Chemistry C, 10(20), 8109-8124. DOI Scopus1 WoS1
2021	Hudson, R. J., Stuart, A. N., De La Perrelle, J. M., Huang, D. M., & Kee, T. W. (2021). Nanoparticle size-dependent singlet fission and exciton dynamics in amorphous TIPS-pentacene. The Journal of Physical Chemistry C, 125(39), 21559-21570. DOI Scopus4 WoS4
2021	Coleman, C. N., Tapping, P. C., Huxley, M. T., Kee, T. W., Huang, D. M., Doonan, C. J., & Sumby, C. J. (2021). Structural modulation of the photophysical and electronic properties of pyrene-based 3D metal-organic frameworks derived from s-block metals. CrystEngComm, 23(1), 82-90. DOI Scopus3 WoS4
2021	Pandit, V., Jang, J., Babazadeh, M., Ranasinghe, C. S. K., Huang, D. M., Burn, P. L., & Puttock, E. V. (2021). A solution-processed bis-tridentate iridium(iii) complex-cored dendrimer for green OLEDs. Journal of Materials Chemistry C, 9(30), 9545-9554. DOI Scopus8 WoS8
2020	Puttock, E. V., Ranasinghe, C. S. K., Babazadeh, M., Jang, J., Huang, D. M., Tsuchiya, Y., . . . Shaw, P. E. (2020). Solution-processed dendrimer-based TADF materials for deep-red OLEDs. Macromolecules, 58(23), 10375-10385. DOI Scopus23 WoS22
2020	Hudson, R. J., De La Perrelle, J. M., Pensack, R. D., Kudisch, B., Scholes, G. D., Huang, D. M., & Kee, T. W. (2020). Organizing crystalline functionalized pentacene using periodicity of poly(vinyl alcohol). Journal of Physical Chemistry Letters, 11(2), 516-523. DOI Scopus6 WoS6
2020	Davis, S. J., Macha, M., Chernev, A., Huang, D. M., Radenovic, A., & Marion, S. (2020). Pressure-induced enlargement and ionic current rectification in symmetric nanopores. Nano Letters, 20(11), 8089-8095. DOI Scopus12 WoS11 Europe PMC2
2020	Hudson, R. J., Huang, D. M., & Kee, T. W. (2020). Anisotropic triplet exciton diffusion in crystalline functionalized pentacene. The Journal of Physical Chemistry C, 124(43), 23541-23550. DOI Scopus9 WoS8
2019	Hart, J. D., Burchill, L., Day, A. J., Newton, C. G., Sumby, C. J., Huang, D. M., & George, J. H. (2019). Visible-light photoredox catalysis enables the biomimetic synthesis of nyingchinoids A, B, and D, and rasumatranin D. Angewandte Chemie, 131(9), 2817-2820. DOI
2019	Li, J., Begbie, A., Boehm, B. J., Button, A., Whidborne, C., Pouferis, Y., . . . Pukala, T. L. (2019). Ion mobility-mass spectrometry reveals details of formation and structure for GAA·TCC DNA and RNA triplexes. Journal of the American Society for Mass Spectrometry, 30(1), 103-112. DOI Scopus10 WoS11 Europe PMC3
2019	Liang, W., Xu, H., Carraro, F., Maddigan, N. K., Li, Q., Bell, S. G., . . . Doonan, C. J. (2019). Enhanced activity of enzymes encapsulated in hydrophilic metal-organic frameworks. Journal of the American Chemical Society, 141(6), 2348-2355. DOI Scopus314 WoS288 Europe PMC47
2019	Hart, J. D., Burchill, L., Day, A. J., Newton, C. G., Sumby, C. J., Huang, D. M., & George, J. H. (2019). Visible-light photoredox catalysis enables the biomimetic synthesis of nyingchinoids A, B, and D, and rasumatranin D. Angewandte Chemie International Edition, 58(9), 2791-2794. DOI Scopus23 WoS20 Europe PMC1
2019	Bennett, H. A., Cazzolato, B. S., Huang, D. M., & Zander, A. C. (2019). Waveshape distortion of high frequency acoustic waves in gas media. Ultrasonics, 96, 149-159. DOI Scopus3 WoS3
2019	Stuart, A. N., Tapping, P. C., Schrefl, E., Huang, D., & Kee, T. W. (2019). Controlling the efficiency of singlet fission in TIPS-pentacene/polymer composite nanoparticles. The Journal of Physical Chemistry C, 123(10), 5813-5821. DOI Scopus19 WoS19
2019	Rankin, D. J., Bocquet, L., & Huang, D. M. (2019). Entrance effects in concentration-gradient-driven flow through an ultrathin porous membrane. Journal of Chemical Physics, 151(4), 044705-1-044705-8. DOI Scopus15 WoS16
2019	Babazadeh, M., Burn, P. L., & Huang, D. M. (2019). Calculating transition dipole moments of phosphorescent emitters for efficient organic light-emitting diodes. Physical Chemistry Chemical Physics, 21(19), 9740-9746. DOI Scopus7 WoS7 Europe PMC3
2019	Astria, E., Thonhofer, M., Ricco, R., Liang, W., Chemelli, A., Tarzia, A., . . . Falcaro, P. (2019). Carbohydrates@MOFs. Materials Horizons, 6(5), 969-977. DOI Scopus41 WoS36
2019	Boehm, B. J., Nguyen, H. T. L., & Huang, D. (2019). The interplay of interfaces, supramolecular assembly, and electronics in organic semiconductors. Journal of Physics: Condensed Matter, 31(42), 423001-1-423001-23. DOI Scopus14 WoS14 Europe PMC1
2018	Huxley, M. T., Burgun, A., Ghodrati, H., Coghlan, C. J., Lemieux, A., Champness, N. R., . . . Sumby, C. J. (2018). Protecting-group-free site-selective reactions in a metal-organic framework reaction vessel. Journal of the American Chemical Society, 140(20), 6416-6425. DOI Scopus42 WoS38 Europe PMC6
2018	Maddigan, N., Tarzia, A., Huang, D., Sumby, C., Bell, S., Falcaro, P., & Doonan, C. (2018). Protein surface functionalisation as a general strategy for facilitating biomimetic mineralisation of ZIF-8. Chemical Science, 9(18), 4217-4223. DOI Scopus119 WoS115 Europe PMC27
2018	Boehm, B., Whidborne, C., Button, A., Pukala, T., & Huang, D. (2018). DNA triplex structure, thermodynamics, and destabilisation: insight from molecular simulations. Physical Chemistry Chemical Physics, 20(20), 14013-14023. DOI Scopus11 WoS10 Europe PMC4
2018	Ayub, M., Zander, A. C., Huang, D. M., Cazzolato, B. S., & Howard, C. Q. (2018). Molecular dynamics simulation of classical sound absorption in a monatomic gas. Journal of Sound and Vibration, 421, 319-333. DOI Scopus7 WoS6
2018	Tarzia, A., Takahashi, M., Falcaro, P., Thornton, A. W., Doonan, C. J., & Huang, D. M. (2018). High-throughput screening of metal-organic frameworks for macroscale heteroepitaxial alignment. ACS Applied Materials and Interfaces, 10(47), 40938-40950. DOI Scopus19 WoS16 Europe PMC3
2018	Ayub, M., Zander, A. C., Huang, D. M., Howard, C. Q., & Cazzolato, B. S. (2018). Molecular dynamics simulations of acoustic absorption by a carbon nanotube. Physics of Fluids, 30(6), 066101-1-066101-15. DOI Scopus16 WoS14
2018	Tarzia, A., Takahashi, M., Falcaro, P., Thornton, A., Doonan, C., & Huang, D. (2018). High-Throughput Screening of Metal–organic Frameworks for Macroscale Heteroepitaxial Alignment. DOI
2017	Jones, M. L., Huang, D. M., Chakrabarti, B., & Groves, C. (2017). Correction to: Relating Molecular Morphology to Charge Mobility in Semicrystalline Conjugated Polymers (vol 120, pg 4240, 2016). JOURNAL OF PHYSICAL CHEMISTRY C, 121(22), 12504. DOI
2017	Ayub, M., Zander, A., Howard, C., Cazzolato, B., Huang, D., Shanov, V., & Alvarez, N. (2017). Normal incidence acoustic absorption characteristics of a carbon nanotube forest. Applied Acoustics, 127, 223-239. DOI Scopus25 WoS22
2017	Li, J., Koshnick, C., Diallo, S., Ackling, S., Huang, D., Jacobs, I., . . . Moulé, A. (2017). Quantitative Measurements of the Temperature-Dependent Microscopic and Macroscopic Dynamics of a Molecular Dopant in a Conjugated Polymer. Macromolecules, 50(14), 5476-5489. DOI Scopus42 WoS41
2017	Burgun, A., Coghlan, C., Huang, D., Chen, W., Horike, S., Kitagawa, S., . . . Doonan, C. (2017). Mapping-out catalytic processes in a metal-organic framework with single-crystal X-ray crystallography. Angewandte Chemie - International Edition, 56(29), 8412-8416. DOI Scopus71 WoS66 Europe PMC17
2017	Tarzia, A., Thornton, A., Doonan, C., & Huang, D. (2017). Molecular insight into assembly mechanisms of porous aromatic frameworks. Journal of Physical Chemistry C, 121(30), 16381-16392. DOI Scopus14 WoS13
2017	Miles, Z., Diethelm, S., Pepper, H., Huang, D., George, J., & Moore, B. (2017). A unifying paradigm for naphthoquinone-based meroterpenoid (bio)synthesis. Nature Chemistry, 9(12), 1235-1242. DOI Scopus56 WoS53 Europe PMC19
2017	Lee, T., Caron, B., Stroet, M., Huang, D., Burn, P., & Mark, A. (2017). The molecular origin of anisotropic emission in an organic light-emitting diode. Nano Letters, 17(10), 6464-6468. DOI Scopus33 WoS32 Europe PMC6
2016	Burgun, A., Valente, P., Evans, J., Huang, D., Sumby, C., & Doonan, C. (2016). Endohedrally functionalised porous organic cages. Chemical Communications, 52(57), 8850-8853. DOI Scopus26 WoS24 Europe PMC7
2016	Fuzell, J., Jacobs, I., Ackling, S., Harrelson, T., Huang, D., Larsen, D., & Moulé, A. (2016). Optical Dedoping Mechanism for P3HT:F4TCNQ Mixtures. Journal of Physical Chemistry Letters, 7(21), 4297-4303. DOI Scopus35 WoS33 Europe PMC4
2016	Tapping, P., & Huang, D. (2016). Comment on "Magnetic field effects on singlet fission and fluorescence decay dynamics in amorphous rubrene". Journal of Physical Chemistry C, 120(43), 25151-25157. DOI Scopus14 WoS12
2016	Evans, J., Huang, D., Haranczyk, M., Thornton, A., Sumby, C., & Doonan, C. (2016). Computational identification of organic porous molecular crystals. CrystEngComm, 18(22), 4133-4141. DOI Scopus41 WoS33
2016	Jones, M. L., Huang, D. M., Chakrabarti, B., & Groves, C. (2016). Relating molecular morphology to charge mobility in semicrystalline conjugated polymers. Journal of Physical Chemistry C, 120(8), 4240-4250. DOI Scopus52 WoS50
2016	Rankin, D., & Huang, D. (2016). The effect of hydrodynamic slip on membrane-based salinity-gradient-driven energy harvesting. Langmuir, 32(14), 3420-3432. DOI Scopus34 WoS32 Europe PMC6
2015	Williamson, N., Huang, D., Bell, S., & Metha, G. (2015). Guided inquiry learning in an introductory chemistry course. International Journal of Innovation in Science and Mathematics Education, 23(6), 34-51. Scopus5
2015	Ayub, M., Zander, A., Howard, C., Huang, D., & Cazzolato, B. (2015). Molecular dynamics simulations of sound wave propagation in a gas and thermo-acoustic effects on a carbon nanotube. Journal of Computational Acoustics, 23(4), 1540012-1-1540012-18. DOI Scopus6 WoS5
2015	Khodakov, D., Khodakova, A., Huang, D., Linacre, A., & Ellis, A. (2015). Protected DNA strand displacement for enhanced single nucleotide discrimination in double-stranded DNA. Scientific Reports, 5(1), 8721-1-8721-8. DOI Scopus24 WoS20 Europe PMC7
2015	Evans, J., Huang, D., Hill, M., Sumby, C., Sholl, D., Thornton, A., & Doonan, C. (2015). Molecular design of amorphous porous organic cages for enhanced gas storage. Journal of Physical Chemistry C, 119(14), 7746-7754. DOI Scopus38 WoS35
2015	Tapping, P., Clafton, S., Schwarz, K., Kee, T., & Huang, D. (2015). Molecular-level details of morphology-dependent exciton migration in poly(3-hexylthiophene) nanostructures. Journal of Physical Chemistry C, 119(13), 7047-7059. DOI Scopus26 WoS27
2014	Huang, D. (2014). Computational study of P3HT/C₆₀-fullerene miscibility. Australian Journal of Chemistry, 67(4), 585-591. DOI Scopus13 WoS13
2014	Evans, J. D., Huang, D. M., Hill, M. R., Sumby, C. J., Thornton, A. W., & Doonan, C. J. (2014). Feasibility of mixed matrix membrane gas separations employing porous organic cages. The Journal of Physical Chemistry C, 118(3), 1523-1529. DOI Scopus70 WoS65
2013	Chiu, M., Kee, T., & Huang, D. (2013). Corrigendum to: Coarse-grained simulations of the effects of chain length, solvent quality, and chemical defects on the solution-phase morphology of MEH-PPV conjugated polymers. Australian Journal of Chemistry, 66(4), 463-471. DOI
2013	Wallace, S., Kee, T., & Huang, D. (2013). Molecular basis of binding and stability of curcumin in diamide-linked y-cyclodextrin dimers. Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 117(41), 12375-12382. DOI Scopus21 WoS20 Europe PMC3
2013	Lee, G., Shi, Y., Lavoie, E., Daeneke, T., Reineck, P., Cappel, U., . . . Bach, U. (2013). Light-driven transformation processes of anisotropic silver nanoparticles. ACS Nano, 7(7), 5911-5921. DOI Scopus58 WoS57 Europe PMC13
2013	Clafton, S., Huang, D., Massey, W., & Kee, T. (2013). Femtosecond dynamics of excitons and hole-polarons in composite P3HT/PCBM nanoparticles. Journal of Physical Chemistry B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 117(16), 4626-4633. DOI Scopus43 WoS41 Europe PMC7
2013	Mauger, S., Chang, L., Friedrich, S., Rochester, C., Huang, D., Wang, P., & Moule, A. (2013). Self-assembly of selective interfaces in organic photovoltaics. Advanced Functional Materials, 23(15), 1935-1946. DOI Scopus51 WoS50
2013	Schwarz, K., Kee, T., & Huang, D. (2013). Coarse-grained simulations of the solution-phase self-assembly of poly(3-hexylthiophene) nanostructures. Nanoscale, 5(5), 2017-2027. DOI Scopus94 WoS93 Europe PMC18
2012	Huang, D., & Harrowell, P. (2012). Molecular shape and the energetics of chemisorption: From simple to complex energy landscapes. Physical Review E. (Statistical, Nonlinear, and Soft Matter Physics), 86(1), 1-8. DOI
2012	Chiu, M., Kee, T., & Huang, D. (2012). Coarse-grained simulations of the effects of chain length, solvent quality, and chemical defects on the solution-phase morphology of MEH-PPV conjugated polymers. Australian Journal of Chemistry, 65(5), 463-471. DOI Scopus8 WoS8
2012	Yu, J., Zvarec, O., Huang, D., Bissett, M., Scanlon, D., Shapter, J., & Abell, A. (2012). Electron transfer through α-peptides attached to vertically aligned carbon nanotube arrays: a mechanistic transition. Chemical Communications, 48(8), 1132-1134. DOI Scopus33 WoS33 Europe PMC11
2012	Yu, J., Huang, D., Shapter, J., & Abell, A. (2012). Electrochemical and computational studies on intramolecular dissociative electron transfer in β‐peptides. Journal of Physical Chemistry C, 116(50), 26608-26617. DOI Scopus24 WoS24
2011	Huang, D., Mauger, S., Friedrich, S., George, S., Dimitriu-LaGrange, D., Yoon, S., & Moule, A. (2011). The consequences of interface mixing on organic photovoltaic device characteristics. Advanced Functional Materials, 21(9), 1657-1665. DOI Scopus79 WoS79
2011	Huang, D., & Harrowell, P. (2011). Controlling adsorbate diffusion on a high-symmetry surface through molecular shape selection. The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 115(19), 9526-9534. DOI Scopus4 WoS4
2011	Moule, A., Faller, R., & Huang, D. (2011). Characterization of polymer-fullerene mixtures for organic photovoltaics by systematically coarse-grained molecular simulations. Fluid Phase Equilibria, 302(1-2), 21-25. DOI Scopus51 WoS44
2010	Huang, D., Faller, R., Do, K., & Moule, A. (2010). Coarse-Grained Computer Simulations of Polymer/Fullerene Bulk Heterojunctions for Organic Photovoltaic Applications. Journal of Chemical Theory and Computation, 6(2), 526-537. DOI Scopus163 WoS159 Europe PMC39
2010	Do, K., Huang, D., Faller, R., & Moule, A. (2010). A comparative MD study of the local structure of polymer semiconductors P3HT and PBTTT. Physical Chemistry Chemical Physics, 12(44), 14735-14739. DOI Scopus69 WoS68 Europe PMC12
2009	Moule, A., Snaith, H., Kaiser, M., Klesper, H., Huang, D., Gratzel, M., & Meerholz, K. (2009). Optical description of solid-state dye-sensitized solar cells. I. Measurement of layer optical properties. Journal of Applied Physics, 106(7), 073111-1-073111-9. DOI Scopus36 WoS35
2009	Andersson, B., Huang, D., Moule, A., & Inganas, O. (2009). An optical spacer is no panacea for light collection in organic solar cells. Applied Physics Letters, 94(4), 043302-1-043302-3. DOI Scopus69 WoS66
2009	Huang, D., Snaith, H., Gratzel, M., Meerholz, K., & Moule, A. (2009). Optical description of solid-state dye-sensitized solar cells. II. Device optical modeling with implications for improving efficiency. Journal of Applied Physics, 106(7), 073112-1-073112-6. DOI Scopus17 WoS17
2008	Huang, D., Cottin-Bizonne, C., Ybert, C., & Bocquet, L. (2008). Aqueous Electrolytes near Hydrophobic Surfaces: Dynamic Effects of Ion Specificity and Hydrodynamic Slip. Langmuir, 24(4), 1442-1450. DOI Scopus120 WoS113 Europe PMC33
2008	Huang, D., Sendner, C., Horinek, D., Netz, R., & Bocquet, L. (2008). Water slippage versus contact angle: a quasiuniversal relationship. Physical Review Letters, 101(22), 1-4. DOI Scopus388 WoS355 Europe PMC68
2008	Huang, D., Cottin-Bizonne, C., Ybert, C., & Bocquet, L. (2008). Massive amplification of surface-induced transport at superhydrophobic surfaces. Physical Review Letters, 101(6), 1-4. DOI Scopus73 WoS67 Europe PMC19
2007	Huang, D., Cottin-Bizonne, C., Ybert, C., & Bocquet, L. (2007). Ion-specific anomalous electrokinetic effects in hydrophobic nanochannels. Physical Review Letters, 98(17), 1-4. DOI Scopus72 WoS74 Europe PMC20
2005	Huang, D., & Attard, P. (2005). A random walk through the dynamics of homogeneous vapor-liquid nucleation. Journal of Chemical Physics, 122(17), 174503-1-174503-8. DOI Scopus2 WoS2 Europe PMC1
2002	Huang, D. M., & Chandler, D. (2002). The hydrophobic effect and the influence of solute-solvent attractions. The Journal of Physical Chemistry B, 106(8), 2047-2053. DOI Scopus309 WoS306
2001	Huang, D. M., Geissler, P. L., & Chandler, D. (2001). Scaling of hydrophobic solvation free energies. Journal of Physical Chemistry B, 105(28), 6704-6709. DOI Scopus237 WoS233
2001	Toh, J. S. S., Huang, D. M., Lovell, P. A., & Gilbert, R. G. (2001). Ab initio calculation of the rate coefficient for short-chain branching in free-radical polymerizations. Polymer, 42(5), 1915-1920. DOI Scopus38 WoS33
2000	Huang, D. M., & Chandler, D. (2000). Temperature and length scale dependence of hydrophobic effects and their possible implications for protein folding. Proceedings of the National Academy of Sciences of the United States Of America, 97(15), 8324-8327. DOI Scopus339 WoS334 Europe PMC145
2000	Huang, D. M., & Chandler, D. (2000). Cavity formation and the drying transition in the Lennard-Jones fluid. Physical Review E, 61(2), 1501-1506. DOI Scopus113 WoS104 Europe PMC41
1998	Huang, D. M., Monteiro, M. J., & Gilbert, R. G. (1998). A theoretical study of propagation rate coefficients for methacrylonitrile and acrylonitrile. Macromolecules, 31(16), 5175-5187. DOI Scopus59 WoS58

Book Chapters

Year	Citation
2012	Dantanarayana, V., Huang, D., Staton, J., Moule, A., & Faller, R. (2012). Multi-scale modeling of bulk heterojunctions for organic photovoltaic applications. In V. Fthenakis (Ed.), Third Generation Photovoltaics (1 ed., pp. 29-60). Croatia: InTech. DOI
2008	Huang, D., Joly, L., Cottin-Bizonne, C., Ybert, C., Trizac, E., & Bocquet, L. (2008). Molecular views of electrokinetic phenomena. In Surface Electrical Phenomena in Membranes and Microchannels, 2008 (pp. 255-273). Transworld Research Network.

Conference Papers

Year	Citation
2018	Zander, A., Ayub, M., Cazzolato, B., Howard, C., Nine, M. J., Losic, D., . . . Bennett, H. (2018). Acoustics at the Nanoscale. In Proceedings of the Annual Conference of the Australian Acoustical Society (AAS2018): Acoustics 2018: Hear to Listen (pp. 51-68). Adelaide, Australia: Australian Acoustical Society.
2016	Ayub, M., Zander, A., Howard, C., Cazzolato, B., Huang, D., Alvarez, N., & Shanov, V. (2016). Acoustic absorption behaviour of a tall carbon nanotube forest. In I. Hillock, & D. Mee (Eds.), Proceedings of Acoustics 2016 Vol. 1 (pp. 1-10). Brisbane, Qld: The Australian Acoustical Society. Scopus3
2015	Bennett, H., Zander, A., Cazzolato, B., & Huang, D. (2015). Speedup techniques for molecular dynamics simulations of the interaction of acoustic waves and nanomaterials. In T. Weber, M. McPhee, & R. Anderssen (Eds.), Proceedings of the 21st International Congress on Modelling and Simulation (MODSIM 2015) (pp. 655-661). Gold Coast, AUSTRALIA: The Modelling and Simulation Society of Australia and New Zealand. DOI Scopus3
2014	Ayub, M., Zander, A., Howard, C., Cazzolato, B., Shanov, V., Alvarez, N., & Huang, D. (2014). Acoustic absorption behaviour of carbon nanotube arrays. In J. Davy, C. Don, T. McMinn, L. Dowsett, N. Broner, & M. Burgess (Eds.), Proceedings of 43rd International Congress on Noise Control Engineering (pp. 1-10). Melbourne: The Australian Acoustical Society. Scopus11
2013	Ayub, M., Zander, A., Howard, C., Cazzolato, B., & Huang, D. (2013). A review of MD simulations of acoustic absorption mechanisms at the nanoscale. In Terrance McMinn (Ed.), Proceedings of Acoustics 2013: Science Technology and Amenity. Annual conference of the Australian Acoustical Society (pp. 1-8). CD ROM: Australian Acoustical Society. Scopus2
2012	Williamson, N. M., Huang, D. M., Pyke, S. M., Willison, J., & Metha, G. F. (2012). Constructing a First Year University Chemistry Course for the ‘Late Bloomers’. In ERGA 2012 Proceedings. Adelaide.

Conference Items

Year	Citation
2015	Williamson, N. M., Huang, D. M., Bell, S. G., & Metha, G. F. (2015). Guided Inquiry Learning in an Introductory Chemistry Course. Poster session presented at the meeting of International Chemical Congress of Pacific Basin Societies (Pacifichem). Honolulu, USA.
2012	Williamson, N. M., Metha, G. F., Huang, D. M., & Bell, S. G. (2012). Development of POGIL-Style Organic Chemistry Activities. Poster session presented at the meeting of Proceedings of the Australian Conference on Science and Mathematics Education. Sydney.

Patents

Year	Citation
2018	Zander, A., Nine, M., Ayub, M., Losic, D., Cazzolato, B. S., Howard, C., & Huang, D. (2018). WO/2018/157208, Acoustic graphene-containing compositions/materials and methods of formation. Switzerland.
2017	Zander, A. C., Nine, M. J., Ayub, M., Losic, D., Cazzolato, B. S., Howard, C. Q., & Huang, D. M. (2017). 2017900697, Acoustic Graphene-containing Compositions/Materials and Methods of Formation. Australia.

Internet Publications

Year Citation
2018 Ayub, M. (2018). Acoustics At The Nanoscale. Science Trends.

Year	Citation
2018	Ayub, M. (2018). Acoustics At The Nanoscale. Science Trends.

Software

Year	Citation
2023	Rankin, D. J., & Huang, D. M. (2023). Non-equilibrium molecular dynamics of steady-state fluid transport through a 2D membrane driven by a concentration gradient [Computer Software].

Dates	Funding Agency	Scheme	Grant Title	Investigators	Amount
2021–2023	Australian Research Council	Discovery Projects	Predicting concentration-gradient-driven liquid transport in 2D membranes	DM Huang	$330,000
2019–2021	Australian Research Council	Discovery Projects	Aggregation control for high-performance polymer electronics	CR McNeill, DM Huang, M Heeney, M Sommer	$370,000
2018	University of Adelaide	Interdisciplinary Research Fund	Advanced composite materials containing graphene microinclusions for underwater acoustic applications	M Ayub, AC Zander, D Losic, MJ Nine, CQ Howard, BS Cazzolato, DM Huang	$60,000
2016–2018	Australian Research Council	Discovery Projects	X-ray snapshots of chemical transformations in open framework materials	CJ Doonan, CJ Sumby, DM Huang, N Champness	$314,900
2011–2014	Australian Solar Institute (ASI)	Round 2	Upconversion of the solar spectrum for improved PV energy conversion	TW Schmidt, MJ Crossley, S Perrier, GJ Conibeer, NJ Ekin-Daukes, S Maier, KW Lips, DM Huang	$811,000
2011–2013	Centre for Energy Technology–Adelaide Airport Partnership	Generic Fund	Solar hydrogen: photocatalytic generation of H 2 from water	GF Metha, TW Kee, DM Huang, J Alvino	$33,000

CHEM 1101 Foundations of Chemistry IA

CHEM 2550 Physical and Inorganic Chemistry II

CHEM 3212 Fundamentals of Materials III

CHEM 3600 Environmental and Analytical Chemistry III

CHEM 3630 Physical Chemistry III

Current Higher Degree by Research Supervision (University of Adelaide)

Date	Role	Research Topic	Program	Degree Type	Student Load	Student Name
2023	Co-Supervisor	Photocatalysis for Environmental Remediation and Renewable Hydrogen Generation	Master of Philosophy	Master	Full Time	Mr Zi Goh
2023	Co-Supervisor	Advanced simulations of dynamic materials, such as COFs and MOFs, to produce better heterogeneous catalysts	Doctor of Philosophy	Doctorate	Full Time	Mr Konstantin Stracke
2022	Co-Supervisor	The feasibility of a singlet fission enhanced photocatalytic hydrogen evolution system	Master of Philosophy	Master	Full Time	Mr Harrison Jake McAfee
2022	Co-Supervisor	Visible Light Photocatalysis by Organic Semiconductor Nanoparticles	Doctor of Philosophy	Doctorate	Full Time	Mr Andrew Dolan
2022	Co-Supervisor	Characterisation and design of DNA-binding oligonucleotides: A concerted experimental and computational investigation.	Doctor of Philosophy	Doctorate	Full Time	Mr Gerardo Urbina
2022	Principal Supervisor	Predicting concentration-gradient-driven fluid flow in 2D membranes	Master of Philosophy	Master	Full Time	Miss Holly Carol Maria Baldock
2021	Co-Supervisor	Biomimetic Synthesis of Natural Products	Doctor of Philosophy	Doctorate	Full Time	Mr Matthew Alexander Coleman
2021	Co-Supervisor	Studies of Electron Transfer and Coherence in Organic Systems by Two-Dimensional Electronic Spectroscopy	Doctor of Philosophy	Doctorate	Full Time	Miss Jessica Michelle De La Perrelle
2020	Co-Supervisor	Biophysical characterisation of DNA triplexes for antigene technology	Doctor of Philosophy	Doctorate	Full Time	Mr Jack Klose
2019	Principal Supervisor	Systematic Molecular Coarse-Graining of Anisotropic Condensed Phases	Doctor of Philosophy	Doctorate	Full Time	Ms Huong Nguyen

Past Higher Degree by Research Supervision (University of Adelaide)

Date	Role	Research Topic	Program	Degree Type	Student Load	Student Name
2019 - 2021	Co-Supervisor	Coherence and Singlet Fission of TIPS-Pentacene Probed by Two-dimensional Electronic Spectroscopy	Master of Philosophy	Master	Full Time	Miss Jessica Michelle De La Perrelle
2019 - 2023	Principal Supervisor	Machine Learning Anisotropic Coarse-Grained Simulation Models of Small-Molecule and Polymeric Organic Semiconductors	Doctor of Philosophy	Doctorate	Full Time	Mr Marltan Oral Wilson
2018 - 2022	Co-Supervisor	Spectroscopic and Computational Studies of Morphology-Dependent Exciton Dynamics in TIPS-Pentacene Nanoparticles	Doctor of Philosophy	Doctorate	Full Time	Mr Rohan Joshua Hudson
2018 - 2022	Principal Supervisor	Understanding and Controlling the Microstructure of Organic Semiconductors	Doctor of Philosophy	Doctorate	Full Time	Mrs Belinda Jayne Boehm
2017 - 2019	Principal Supervisor	Systematic Coarse-Graining and Dynamical Simulations of Anisotropic Molecules with Applications in Organic Semiconductors	Master of Philosophy	Master	Full Time	Ms Huong Nguyen
2017 - 2019	Co-Supervisor	Polarisation Effects of Exciton Migration and Singlet Fission in TIPS-Pentacene Nanoparticles	Master of Philosophy	Master	Full Time	Miss Elisabeth Schrefl
2017 - 2022	Co-Supervisor	A Biophysical Investigation of Nucleic Acid Triplexes and Inversion Site Recognising Analogues	Doctor of Philosophy	Doctorate	Part Time	Mr Alexander Jacob Begbie
2017 - 2019	Principal Supervisor	Entrance Effects on Solution Transport Through Nanoporous Membranes	Master of Philosophy	Master	Full Time	Mr Daniel Justin Rankin
2016 - 2018	Principal Supervisor	A Mechanistic Study of the Stability of Triple-Stranded DNA Structures	Master of Philosophy	Master	Full Time	Mrs Belinda Jayne Boehm
2016 - 2018	Co-Supervisor	A Kinetic and Spectroscopic Analysis of Distance-dependent Singlet Fission in TIPS-Pentacene	Master of Philosophy	Master	Full Time	Ms Alexandra Nicole Stuart
2015 - 2019	Co-Supervisor	Computational Screening and Analysis of Functional Porous Materials	Doctor of Philosophy	Doctorate	Full Time	Mr Andrew Tarzia
2015 - 2017	Principal Supervisor	Interplay of Structural, Dynamical, and Electronic Properties in Doped Semiconducting Polymer Systems	Master of Philosophy	Master	Full Time	Ms Sophia Ackling
2013 - 2017	Co-Supervisor	Theoretical and Spectroscopic Studies of Energy and Charge Transport in Organic Semiconductors	Doctor of Philosophy	Doctorate	Full Time	Dr Patrick Charles Tapping
2013 - 2016	Co-Supervisor	Experimental and Numerical Investigation of a Carbon Nanotube Acoustic Absorber	Doctor of Philosophy	Doctorate	Full Time	Mr Md Ayub
2012 - 2015	Co-Supervisor	Simulations of Molecular and Extended Porous Materials	Doctor of Philosophy	Doctorate	Full Time	Mr Jack Evans
2011 - 2015	Co-Supervisor	The Characterisation, Photocatalytic Performance, and Theoretical Investigation of Small Gold Clusters Supported on Titanium Dioxide Nanoparticles	Doctor of Philosophy	Doctorate	Full Time	Dr Jason Frankie Alvino

Memberships

Date	Role	Membership	Country
2011 - ongoing	Member	American Chemical Society	United States
2010 - ongoing	Member	Royal Australian Chemical Institute (RACI)	Australia
2008 - ongoing	Member	American Physical Society	United States

Community Engagement

Date	Title	Engagement Type	Institution	Country
2015 - ongoing	Compiler of Research column, Chemistry in Australia magazine	Scientific Community Engagement	Royal Australian Chemical Institute (RACI)	Australia

Position: Associate Prof/Reader
Phone: 83135580
Email: david.huang@adelaide.edu.au
Fax: 83134380
Campus: North Terrace
Building: Badger, floor 1
Org Unit: Chemistry