Dr David Huang

David Huang
Lecturer Level 111 Coordinator
School of Physical Sciences
Faculty of Sciences

I use theory and computation to study condensed phase phenomena in chemistry, biology, 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, novel functional materials, and drug design and delivery.

Connect With Me

External Profiles

Dr David Huang

I use theory and computation to study condensed phase phenomena in chemistry, biology, 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, novel functional materials, and drug design and delivery.

Soft Condensed Matter Theory and Computation

Organic Electronics

The performance of organic electronic devices such as solar cells is sensitive to the structural properties of organic semiconductors on a wide range of length scales from the atomic level up to the 100-nm scale. Elucidating these structural properties and how they correlate with electronic properties on all relevant length scales is thus highly challenging. To address this issue, we are developing coarse-grained computational models to study the self-assembly of the nano-scale structure and its impact on functional properties such as energy and charge transport in organic semiconductor materials like conjugated polymers.


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.

Porous Functional Materials

Synthetic porous solids such as metal-organic frameworks (MOFs), covalent organic frameworks (COFs), and porous organic cages (POCs) have attracted increasing attention due to their applications in heterogeneous catalysis, gas storage and molecular separation. We are using computational methods to design and screen novel materials for enhanced functional properties, in collaboration with the experimental research groups of Christian Doonan and Chris Sumby at the University of Adelaide.


Date Position Institution name
2014 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 Amount
2016 Australian Awards for University Teaching - Citation for Outstanding Contributions to Student Learning Australian Government Department of Education and Training
2016 RACI Chemical Education Division Citation Royal Australian Chemical Institute
2015 Commendation for Excellence in the Support of the Student Experience The University of Adelaide
2014 Executive Dean of Sciences Excellence in Teaching Award (Teaching Team) The University of Adelaide
2013 Exectuvie Dean of Sciences Excellence in Teaching Award (Early Career) The University of Adelaide
1998 - 2002 Fulbright Postgraduate Student Award Fulbright Association

Language Competencies

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


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)


Date Citation
2017 Burgun,A, Coghlan,C, Huang,D, Chen,W, Horike,S, Kitagawa,S, Alvino,J, Metha,G, Sumby,C, Doonan,C et al, 2017, Mapping-Out Catalytic Processes in a Metal-Organic Framework with Single-Crystal X-ray Crystallography, Angewandte Chemie - International Edition, - 10.1002/anie.201611254
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 10.1039/c6cc04423a
2016 Evans,JD, Huang,DM, Haranczyk,M, Thornton,AW, Sumby,CJ, Doonan,CJ, 2016, Computational identification of organic porous molecular crystals, CrystEngComm, 18, 22, 4133-4141 10.1039/c6ce00064a
2016 Rankin,D, Huang,D, 2016, The effect of hydrodynamic slip on membrane-based salinity-gradient-driven energy harvesting, Langmuir, 32, 14, 3420-3432 10.1021/acs.langmuir.6b00433
2016 Jones,M, Huang,D, Chakrabarti,B, Groves,C, 2016, Relating Molecular Morphology to Charge Mobility in Semicrystalline Conjugated Polymers, Journal of Physical Chemistry C, 120, 8, 4240-4250 10.1021/acs.jpcc.5b11511
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 10.1021/acs.jpclett.6b02048
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 10.1021/acs.jpcc.6b04934
2015 Ayub,M, Zander,AC, Howard,CQ, Huang,DM, Cazzolato,BS, 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 10.1142/S0218396X15400123
2015 Evans,JD, Huang,DM, Hill,MR, Sumby,CJ, Sholl,DS, Thornton,AW, Doonan,CJ, 2015, Molecular design of amorphous porous organic cages for enhanced gas storage, Journal of Physical Chemistry C, 119, 14, 7746-7754 10.1021/jp512944r
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, 8721-1-8721-8 10.1038/srep08721
2015 Tapping,PC, Clafton,SN, Schwarz,KN, Kee,TW, Huang,DM, 2015, Molecular-level details of morphology-dependent exciton migration in poly(3-hexylthiophene) nanostructures, Journal of Physical Chemistry C, 119, 13, 7047-7059 10.1021/acs.jpcc.5b00705
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
2014 Evans,JD, Huang,DM, Hill,MR, Sumby,CJ, Thornton,AW, Doonan,CJ, 2014, Feasibility of mixed matrix membrane gas separations employing porous organic cages, The Journal of Physical Chemistry C, 118, 3, 1523-1529 10.1021/jp4079184
2014 Huang,D, 2014, Computational study of P3HT/C₆₀-fullerene miscibility, Australian Journal of Chemistry, 67, 4, 585-591 10.1071/CH13518
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 10.1039/c3nr33324h
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 10.1021/jp406125x
2013 Lee,G, Shi,Y, Lavoie,E, Daeneke,T, Reineck,P, Cappel,U, Huang,D, Bach,U, 2013, Light-driven transformation processes of anisotropic silver nanoparticles, ACS Nano, 7, 7, 5911-5921 10.1021/nn4013059
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 10.1002/adfm.201201874
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 10.1021/jp308876z
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 10.1103/PhysRevE.86.011606
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 10.1039/c2cc16665h
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 10.1021/jp3082563
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 10.1071/CH12029
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 10.1016/j.fluid.2010.07.025
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 10.1021/jp1108619
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 10.1002/adfm.201002014
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 10.1021/ct900496t
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 10.1039/c0cp00785d
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, 1-3 10.1063/1.3073710
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 10.1063/1.3204985
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 10.1063/1.3204982
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 10.1103/PhysRevLett.101.226101
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 10.1103/PhysRevLett.101.064503
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 10.1021/la7021787
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 10.1103/PhysRevLett.98.177801
2005 Huang,D, Attard,P, 2005, A random walk through the dynamics of homogeneous vapor-liquid nucleation, Journal of Chemical Physics, 122, 17, 1-8 10.1063/1.1884086
2002 Huang,DM, Chandler,D, 2002, The hydrophobic effect and the influence of solute-solvent attractions, The Journal of Physical Chemistry B, 106, 8, 2047-2053 10.1021/jp013289v
2001 Huang,DM, Geissler,PL, Chandler,D, 2001, Scaling of hydrophobic solvation free energies, Journal of Physical Chemistry B, 105, 28, 6704-6709 10.1021/jp0104029
2001 Toh,JSS, Huang,DM, Lovell,PA, Gilbert,RG, 2001, Ab initio calculation of the rate coefficient for short-chain branching in free-radical polymerizations, Polymer, 42, 5, 1915-1920 10.1016/S0032-3861(00)00519-X
2000 Huang,D, 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 10.1073/pnas.120176397
2000 Huang,D, Chandler,D, 2000, Cavity formation and the drying transition in the Lennard-Jones fluid, Physical Review E, 61, 2, 1501-1506 10.1103/PhysRevE.61.1501
1998 Huang,DM, Monteiro,MJ, Gilbert,RG, 1998, A theoretical study of propagation rate coefficients for methacrylonitrile and acrylonitrile, Macromolecules, 31, 16, 5175-5187 10.1021/ma980229n

Book Chapters

Date Citation
2012 Dantanarayana,V, Huang,D, Staton,J, Moule,A, Faller,R, 2012, Multi-scale modeling of bulk heterojunctions for organic photovoltaic applications, InTech, Croatia, pp. 29-60 10.5772/26068
2008 Huang,D, Joly,L, Cottin-Bizonne,C, Ybert,C, Trizac,E, Bocquet,L, 2008, Molecular views of electrokinetic phenomena, Transworld Research Network, pp. 255-273

Conference Papers

Date Citation
2016 Ayub,M, Zander,A, Howard,C, Cazzolato,B, Huang,D, 2016, Acoustic absorption behavior of a tall carbon nanotube forest, Acoustics 2016, Brisbane, Australia
2014 Ayub,M, Zander,AC, Howard,CQ, Cazzolato,BS, Shanov,VS, Alvarez,NT, Huang,DM, 2014, Acoustic absorption behaviour of carbon nanotube arrays, 43rd International Congress on Noise Control Engineering, Melbourne
2013 Ayub,M, Zander,A, Howard,C, Cazzolato,B, Huang,D, 2013, A review of MD simulations of acoustic absorption mechanisms at the nanoscale, Annual Conference of the Australian Acoustical Society, Victor Harbor
2012 Williamson,NM, Huang,DM, Pyke,SM, Willison,J, Metha,GF, 2012, Constructing a First Year University Chemistry Course for the ‘Late Bloomers’, ERGA 2012, Adelaide
2010 Huang,DM, Moulé,AJ, Faller,R, 2010, Systematic multiscale modeling of polymer/fullerene bulk heterojunctions for photovoltaic applications
2009 Huang,DM, La Grange,DD, George,SJ, Freidrich,S, Moule,AJ, 2009, COLL 509-Incorporation of polymers into the surface of PEDOT:PSS: Mechanism and electrical consequences-uses
2009 Huang,DM, Do,K, Faller,R, Moulé,AJ, 2009, Coarse-grained computer simulations of polymer/fullerene bulk heterojunctions for photovoltaic applications
2009 Huang,DM, La Grange,DD, George,SJ, Freidrich,S, Moulé,AJ, 2009, Incorporation of polymers into the surface of PEDOT:PSS: Mechanism and electrical consequences-uses

Conference Items

Date Citation
2012 Williamson,NM, Metha,GF, Huang,DM, Bell,SG, 2012, Development of POGIL-Style Organic Chemistry Activities, Australian Conference on Science and Mathematics Education, Sydney
Dates Funding Agency Scheme Grant Title Investigators Amount
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



Date Role Membership Country
2010 Member Royal Australian Chemical Institute (RACI) Australia
2008 Member American Physical Society United States
Lecturer Level 111 Coordinator
8313 4380
North Terrace
Room Number
2 32
Org Unit