Prof Tiffany Walsh

STAFF PROFILE

Position

Professor Of Bionanotechnology

Faculty

Instit for Frontier Materials

Department

Instit for Frontier Materials

Campus

Geelong Waurn Ponds Campus

Contact

tiffany.walsh@deakin.edu.au
+61 3 522 73116

Biography

Prof. Walsh's research interests and expertise focus on molecular modelling, chiefly of interfaces, using molecular dynamics simulations and first-principles calculations.

After graduating with a B.Sci(Hons) from the University of Melbourne, Prof. Walsh earned her PhD degree in theoretical chemistry from the University of Cambridge, U.K., working in the group of Prof. David Wales (FRS) in the Dept. of Chemistry, as a Cambridge Commonwealth Trust scholar. She then joined the Dept. of Materials, University of Oxford, U.K. as a postdoctoral researcher in the Materials Modelling Laboratory (MML) with Prof. Adrian Sutton (FRS). Staying in the MML, she held a Glasstone Fellowship, in addition to a Junior Research Fellowship at Linacre College, University of Oxford. Following this, she joined the faculty of the University of Warwick, U.K., as a joint appointment in the Dept. of Chemistry and the Centre for Scientific Computing. In 2012 she returned to Australia on a veski Innovation Fellowship and joined the Institute for Frontier Materials at Deakin University in Australia, where she currently holds the position of Professor of Bio/Nanotechnology.

Prof. Walsh was appointed to join the Australian Research Council (ARC) College of Experts in 2015.

Read more on Tiffany's profile

Career highlights

2015 - current: Professor in Bio/Nanotechnology, Institute for Frontier Materials, Deakin University, Geelong, Australia

2012-2014 : Associate Professor in Bio/Nanotechnology, Institute for Frontier Materials, Deakin University, Geelong, Australia

2012-2015: veski Innovation Fellow

2002-2012: Associate Professor in Computational & Theoretical Chemistry, Dept. of Chemistry and Centre for Scientific Computing, University of Warwick, Coventry, U.K

2000-2002: Glasstone Fellow in Dept. of Materials and Junior Research Fellow at Linacre College, Materials Modelling Laboratory, Dept. of Materials, University of Oxford, Oxford, U.K

1998-2000: Postdoctoral Research Associate, Materials Modelling Laboratory, Dept. of Materials, University of Oxford, Oxford, U.K

Research interests


  • Materials modelling of bio/nano interfaces, principally at the molecular level, to make connections between molecular scale details and macroscopic properties.

  • Development of efficient molecular simulation approaches for the meaningful study of self-assembly of large biomolecules and their structure-function relationships.

  • Application of these approaches to investigate problems ranging from the directed biomolecule-mediated assembly of inorganic nanoparticles, through to modeling the mechanical response of keratin fibres in skin in the presence of molecular additives.

Affiliations

Adjunct Associate Professor, University of Warwick, U.K.

Adjunct Associate Professor, University at Buffalo, SUNY, U.S.A

Projects

Recent Projects:

Molecular Simulations of Blood Protein Therapeutics. Consultancy, funded by CSL Ltd. (2015-2016).

Integration of Experiment and Modelling to Advance Biosensor Design based on Conformational Switching of Surface-Adsorbed Nucleic Acids. Funded by the Asian Office of Aerospace Research & Development (AFOSR Tokyo Office), (2016-2018).

Modelling the Elastic and Barrier Properties of Skin: Investigation of Keratin Self-Organization at the Molecular Level. Funded by Unilever R&D, Port Sunlight, UK. (2011-2014)

Bio-nanocombinatorics to Achieve Precisely-Assembled Multicomponent, Functional Hybrid Nanomaterials. Grant #FA9550-12-1-0226. Funded by the Air Force Office for Scientific Research (U.S.A). (2012-2017)

Aiding Developments in Advanced Materials Funded by veski.  (2012-2015)

Bioinspired Interfaces for Improved Carbon Fibre Composite Performance. Funded by the Australian Research Council.(2014-2016)

Publications

Filter by

2018

Emergence of order in self-assembly of the intrinsically disordered biomineralisation peptide n16N

G Rutter, A Brown, D Quigley, T Walsh, M Allen

(2018), Vol. 44, pp. 463-469, Molecular Simulation, C1

journal

A predictive model of interfacial interactions between functionalised carbon fibre surfaces cross-linked with epoxy resin

B Demir, K Beggs, B Fox, L Servinis, L Henderson, T Walsh

(2018), Vol. 159, pp. 127-134, Composites science and technology, Amsterdam, The Netherlands, C1

journal

Synergistic interfacial effects of ionic liquids as sizing agents and surface modified carbon fibers

D Eyckens, L Servinis, C Scheffler, E Wölfel, B Demir, T Walsh, L Henderson

(2018), Vol. 6, pp. 4504-4514, Journal of materials chemistry A, Cambridge, Eng., C1

journal

Peptide-mediated growth and dispersion of au nanoparticles in water via sequence engineering

M Nguyen, Z Hughes, Y Liu, Y Li, M Swihart, M Knecht, T Walsh

(2018), Vol. 122, pp. 11532-11542, Journal of physical chemistry C, Washington, D.C., C1

journal

Controlled synthesis of highly-branched plasmonic gold nanoparticles through peptoid engineering

Feng Yan, Lili Liu, Tiffany Walsh, Yu Gong, Patrick El-Khoury, Yanyan Zhang, Zihua Zhu, James De Yoreo, Mark Engelhard, Xin Zhang, Chun-Long Chen

(2018), Vol. 9, Nature communications, London, Eng., C1

journal

Atomistic modeling of the formation of a thermoset/thermoplastic interphase during co-curing

M Laurien, B Demir, H Büttemeyer, A Herrmann, T Walsh, L Ciacchi

(2018), Vol. 51, pp. 3983-3993, Macromolecules, Washington, D.C., C1

journal

An efficient high-throughput grafting procedure for enhancing carbon fiber-to-matrix interactions in composites

D Eyckens, F Stojcevski, A Hendlmeier, C Arnold, J Randall, M Perus, L Servinis, T Gengenbach, B Demir, T Walsh, L Henderson

(2018), Vol. 353, pp. 373-380, Chemical engineering journal, Amsterdam, The Netherlands, C1

journal

Distinct differences in peptide adsorption on palladium and gold: introducing a polarizable model for Pd(111)

Z Hughes, T Walsh

(2018), Vol. 122, pp. 19625-19638, Journal of physical chemistry C, Washington, D.C., C1

journal

Effect of calcium ions on peptide adsorption at the aqueous rutile titania (110) interface

Anas Sultan, Zak Hughes, Tiffany Walsh

(2018), Vol. 13, Biointerphases, Melville, N.Y., C1

journal

Optical control of nanoparticle catalysis influenced by photoswitch positioning in hybrid peptide capping ligands

Randy Lawrence, Zak Hughes, Vincent Cendan, Yang Liu, Chang-Keun Lim, Paras Prasad, Mark Swihart, Tiffany Walsh, Marc Knecht

(2018), Vol. 10, pp. 33640-33651, ACS applied materials and interfaces, Washington, D.C., C1

journal
2017

Elucidating the influence of materials-binding peptide sequence on Au surface interactions and colloidal stability of Au nanoparticles

Z Hughes, M Nguyen, Y Li, M Swihart, T Walsh, M Knecht

(2017), Vol. 9, pp. 421-432, Nanoscale, Cambridge, Eng., C1

journal

Design rules for enhanced interfacial shear response in functionalized carbon fiber epoxy composites

B Demir, L Henderson, T Walsh

(2017), Vol. 9, pp. 11846-11857, ACS applied materials and interfaces, Washington, United States, C1

journal

Electrochemical surface modification of carbon fibres by grafting of amine, carboxylic and lipophilic amide groups

L Servinis, K Beggs, C Scheffler, E Wolfel, J Randall, T Gengenbach, B Demir, T Walsh, E Doeven, P Francis, L Henderson

(2017), Vol. 118, pp. 393-403, Carbon, Amsterdam, The Netherlands, C1

journal

Facet-specific adsorption of tripeptides at aqueous Au interfaces: open questions in reconciling experiment and simulation

Z Hughes, R Kochandra, T Walsh

(2017), Vol. 33, pp. 3742-3754, Langmuir, Washington, D.C., C1

journal

Tailoring the fibre-to-matrix interface using click chemistry on carbon fibre surfaces

L Servinis, K Beggs, T Gengenbach, E Doeven, P Francis, B Fox, J Pringle, C Pozo-Gonzalo, T Walsh, L Henderson

(2017), Vol. 5, pp. 11204-11213, Journal of materials chemistry A, Cambridge, Eng., C1

journal

Halo-substituted azobenzenes adsorbed at Ag(111) and Au(111) interfaces: structures and optical properties

Z Hughes, A Baev, P Prasad, T Walsh

(2017), Vol. 95, pp. 1-10, Physical review B, College Park, Md., C1

journal

Pathways to structure-property relationships of peptide-materials interfaces: challenges in predicting molecular structures

T Walsh

(2017), Vol. 50, pp. 1617-1624, Accounts of Chemical Research, Washington, D.C., C1

journal
2016

Sequence-Dependent Structure/Function Relationships of Catalytic Peptide-Enabled Gold Nanoparticles Generated under Ambient Synthetic Conditions.

N Bedford, Z Hughes, Z Tang, Y Li, B Briggs, Y Ren, M Swihart, V Petkov, R Naik, M Knecht, T Walsh

(2016), Vol. 138, pp. 540-548, Journal of the American chemistry society, Washington, D.C., C1

journal

Optical actuation of inorganic/organic interfaces: comparing peptide-azobenzene ligand reconfiguration on gold and silver nanoparticles

J Palafox-Hernandez, C-K Lim, Z Tang, K Drew, Z Hughes, Y Li, M Swihart, P Prasad, M Knecht, T Walsh

(2016), Vol. 8, pp. 1050-1060, ACS applied material interfaces, Washington, D.C., Wash., C1

journal

A robust and reproducible procedure for cross-linking thermoset polymers using molecular simulation

B Demir, T Walsh

(2016), Vol. 12, pp. 2453-2464, Soft matter, Cambridge, Eng., C1

journal

Plasmon-enhanced two-photon-induced isomerization for highly-localized light-based actuation of inorganic/organic interfaces

C-K Lim, X Li, Y Li, K Drew, J Palafox-Hernandez, Z Tang, A Baev, A Kuzmin, M Knecht, T Walsh, M Swihart, H Ågren, P Prasad

(2016), Vol. 8, pp. 4194-4202, Nanoscale, London, Eng., C1

journal

Determination of Kamlet-Taft parameters for selected solvate ionic liquids

D Eyckens, B Demir, T Walsh, T Welton, L Henderson

(2016), pp. 1-5, Physical chemistry chemical physics, London, Eng., C1

journal

Non-covalent adsorption of amino acid analogues on noble-metal nanoparticles: influence of edges and vertices

Z Hughes, T Walsh

(2016), Vol. 18, pp. 17525-17533, Physical chemistry chemical physics, Cambridge, Eng., C1

journal

Aqueous peptide-TiO2 interfaces: isoenergetic binding via either entropically or enthalpically driven mechanisms

A Sultan, Z Westcott, Z Hughes, J Palafox-Hernandez, T Giesa, V Puddu, M Buehler, C Perry, T Walsh

(2016), Vol. 8, pp. 18620-18630, ACS applied materials & interfaces, Washington, D.C., C1

journal

Correction: determination of Kamlet-Taft parameters for selected solvate ionic liquids

D Eyckens, B Demir, T Walsh, T Welton, L Henderson

(2016), Vol. 18, pp. 19975-19975, Physical chemistry chemical physics, London, Eng., C1

journal

Elucidating the influence of polymorph-dependent interfacial solvent structuring at chitin surfaces

A Brown, T Walsh

(2016), Vol. 151, pp. 916-925, Carbohydrate polymers, Amsterdam, The Netherlands, C1

journal

Peptide sequence effects control the single pot reduction, nucleation, and growth of Au nanoparticles

C Munro, Z Hughes, T Walsh, M Knecht

(2016), Vol. 120, pp. 18917-18924, Journal of physical chemistry c, Washington, D.C., C1

journal

Peptide-directed PdAu nanoscale surface segregation: toward controlled bimetallic architecture for catalytic materials

N Bedford, A Showalter, T Woehl, Z Hughes, S Lee, B Reinhart, S Ertem, E Coughlin, Y Ren, T Walsh, B Bunker

(2016), Vol. 10, pp. 8645-8659, ACS nano, Washington D.C., C1

journal

Elucidating the mechanisms of nanodiamond-promoted structural disruption of crystallised lipid

Z Hughes, T Walsh

(2016), Vol. 12, pp. 8338-8347, Soft matter, London, Eng., C1

journal

Toward a modular multi-material nanoparticle synthesis and assembly strategy via bionanocombinatorics: bifunctional peptides for linking Au and Ag nanomaterials

B Briggs, J Palafox-Hernandez, Y Li, C-K Lim, T Woehl, N Bedford, S Seifert, M Swihart, P Prasad, T Walsh, M Knecht

(2016), Vol. 18, pp. 30845-30856, Physical chemistry chemical physics, Cambridge, Eng., C1

journal
2015

Identifying affinity classes of inorganic materials binding sequences via a graph-based model

N Du, M Knecht, M Swihart, Z Tang, T Walsh, A Zhang

(2015), Vol. 12, pp. 193-204, IEEE/ACM transactions on computational biology and bioinformatics, N.Y., N.Y., C1

journal

An improved TIGER2 implementation for NAMD suitable for the Blue Gene architecture

A Brown, T Walsh

(2015), Vol. 192, pp. 278-281, Computer Physics Communications, Amsterdam, Netherlands, C1

journal

The Influence of water and metal salt on the transport and structural properties of 1-Octyl-3-methylimidazolium Chloride

N Goujon, N Byrne, T Walsh, M Forsyth

(2015), Vol. 68, pp. 420-425, Australian journal of chemistry, Clayton, Vic., C1

journal

Computational chemistry for graphene-based energy applications: progress and challenges.

Z Hughes, T Walsh

(2015), Vol. 7, pp. 6883-6908, Nanoscale, England, C1

journal

What makes a good graphene-binding peptide? Adsorption of amino acids and peptides at aqueous graphene interfaces

Z Hughes, T Walsh

(2015), Vol. 3, pp. 3211-3221, Journal of Materials Chemistry B, C1

journal

Ductile thermoset polymers via controlling network flexibility

N Hameed, N Salim, T Walsh, J Wiggins, P Ajayan, B Fox

(2015), Vol. 51, pp. 9903-9906, Chemical communications, Cambridge, Eng., C1

journal

Tristearin bilayers: structure of the aqueous interface and stability in the presence of surfactants

Z Hughes, T Walsh

(2015), Vol. 5, pp. 49933-49943, RSC Advances, Cambridge, Eng., C1

journal

Complete structure of an epithelial keratin dimer: implications for intermediate filament assembly

D Bray, T Walsh, M Noro, R Notman

(2015), Vol. 10, pp. 1-22, PLoS One, San Francisco, Calif., C1

journal

Triggering nanoparticle surface ligand rearrangement via external stimuli: light-based actuation of biointerfaces

Z Tang, C Lim, J Palafox-Hernandez, K Drew, Y Li, M Swihart, P Prasad, T Walsh, M Knecht

(2015), Vol. 7, pp. 13638-13645, Nanoscale, Cambridge, Eng., C1

journal

Improving the description of interactions between Ca2+ and protein carboxylate groups, including ?-carboxyglutamic acid: revised CHARMM22? parameters

A Church, Z Hughes, T Walsh

(2015), Vol. 5, pp. 67820-67828, RSC Advances, Cambridge, Eng., C1

journal

Facet selectivity in gold binding peptides: exploiting interfacial water structure

L Wright, J Palafox-Hernandez, P Rodger, S Corni, T Walsh

(2015), Vol. 6, pp. 5204-5214, Chemical science, Cambridge, Eng., C1

journal

Testing the transferability of a coarse-grained model to intrinsically disordered proteins

G Rutter, A Brown, D Quigley, T Walsh, M Allen

(2015), Vol. 17, pp. 31741-31749, Physical chemistry chemical physics, Cambridge, Eng., C1

journal

Identifying inorganic material affinity classes for peptide sequences based on context learning

G Xun, X Li, M Knecht, P Prasad, M Swihart, T Walsh, A Zhang

(2015), pp. 549-554, BIBM 2015 : Proceedings of the Bioinformatics and Biomedicine 2015 International Conference, Washington, Distict of Columbia, E1

conference
2014

Comparative study of materials-binding peptide interactions with gold and silver surfaces and nanostructures : A thermodynamic basis for biological selectivity of inorganic materials

J Palafox-Hernandez, Z Tang, Z Hughes, Y Li, M Swihart, P Prasad, T Walsh, M Knecht

(2014), Vol. 26, pp. 4960-4969, Chemistry of Materials, Washington, United States, C1

journal

Efficient simulations of the aqueous bio-interface of graphitic nanostructures with a polarisable model.

Z Hughes, S Tomásio, T Walsh

(2014), Vol. 6, pp. 5438-5448, Nanoscale, Cambridge England, C1

journal

Structure of the electrical double layer at aqueous gold and silver interfaces for saline solutions

Z Hughes, T Walsh

(2014), Vol. 436, pp. 99-110, Journal of colloid and interface science, Maryland Heights, MO, C1

journal

Binding affinities of amino acid analogues at the charged aqueous titania interface : implications for titania-binding peptides

A Sultan, Z Hughes, T Walsh

(2014), Vol. 30, pp. 13321-13329, Langmuir, Washington, United States, C1

journal

Structure of arginine overlayers at the aqueous gold interface: implications for nanoparticle assembly.

L Wright, N Merrill, M Knecht, T Walsh

(2014), Vol. 6, pp. 10524-10533, ACS Applied Materials & Interfaces, United States, C1

journal

Equilibrium conformational ensemble of the intrinsically disordered peptide n16N : linking subdomain structures and function in nacre

A Brown, P Rodger, J Evans, T Walsh

(2014), Vol. 15, pp. 4467-4479, Biomacromolecules, Washington DC, C1

journal

Structure and properties of citrate overlayers adsorbed at the aqueous Au(111) interface.

L Wright, P Rodger, T Walsh

(2014), Vol. 30, pp. 15171-15180, Langmuir, United States, C1

journal

Bio-inspired nanotechnology: from surface analysis to applications

M Knecht, T Walsh

(2014), Amsterdam, The Netherlands, A1

book

Fundamentals of peptide-materials interfaces

T Walsh

(2014), pp. 17-36, Bio-inspired nanotechnology : from surface analysis to applications, Berlin, Germany, B1

chapter
2013

Efficient conformational sampling of peptides adsorbed onto inorganic surfaces: insights from a quartz binding peptide

L Wright, T Walsh

(2013), Vol. 15, pp. 4715-4726, Physical chemistry chemical physics, Cambridge, England, C1

journal

Study of boron-nitrogen dative bonds using azetidine inversion dynamics

C Hoang, I Prokes, G Clarkson, M Rowland, J Tucker, M Shipman, T Walsh

(2013), Vol. 49, pp. 2509-2511, Chemical communications, Cambridge, England, C1

journal

Photochemical control of molecular motion associated with pyramidal inversion

A Hough, I Prokes, J Tucker, M Shipman, T Walsh

(2013), Vol. 49, pp. 6683-6685, Chemical communications, Cambridge, England, C1

journal

Aqueous citrate: a first-principles and force-field molecular dynamics study

L Wright, P Rodger, T Walsh

(2013), Vol. 3, pp. 16399-16409, RSC advances, Cambridge, England, C1

journal

Testing the inter-operability of the CHARMM and SPC/Fw force-fields for conformational sampling

J Desmond, P Rodger, T Walsh

(2013), Vol. 40, pp. 912-921, Molecular simulation, Abingdon, England, C1

journal

Electronic properties of a graphene device with peptide adsorption: Insight from simulation

B Akdim, R Pachter, S Kim, R Naik, T Walsh, S Trohalaki, G Hong, Z Kuang, B Farmer

(2013), Vol. 5, pp. 7470-7477, ACS applied materials and interfaces, Washington, D.C., C1

journal

Biomolecular adsorption at aqueous silver interfaces: first-principles calculations, polarizable force-field simulations and comparisons with gold

Z Hughes, L Wright, T Walsh

(2013), Vol. 29, pp. 13217-13329, Langmuir, Washington, D.C., C1

journal

GolP-CHARMM : First-principles based force fields for the interaction of proteins with Au(111) and Au(100)

L Wright, P Rodger, S Corni, T Walsh

(2013), Vol. 9, pp. 1616-1630, Journal of chemical theory and computation, Washington, D.C., C1

journal

Benzene adsorption at the aqueous (011) ?-quartz interface : is surface flexibility important?

L Wright, C Freeman, T Walsh

(2013), Vol. 39, pp. 1093-1102, Molecular simulation, London, England, C1

journal

Biomolecular recognition principles for bionanocombinatorics : an integrated approach to elucidate enthalpic and entropic factors

Z Tang, J Palafox-Hernandez, W Law, Z Hughes, M Swihart, P Prasad, M Knecht, T Walsh

(2013), Vol. 7, pp. 9632-9646, ACS nano, Washington, D.C., C1

journal

A framework for identifying affinity classes of inorganic materials binding peptide sequences

N Du, M Knecht, P Prasad, M Swihart, T Walsh, A Zhang

(2013), pp. 545-551, ACM-BCB 2013 : Proceedings of the 4th ACM Conference on Bioinformatics, Computational Biology and Biomedical Informatics, Washington, D.C., E1-1

conference

First-principles based force-field for the interaction of proteins with Au(100)(5 x 1): an extension of GolP-CHARMM

L Wright, P Rodger, T Walsh, S Corni

(2013), Vol. 117, pp. 24292-24306, Journal of physical chemistry C, Washington D. C., C1

journal
2012

Exploring the influence of organic species on pre- and post-nucleation calcium carbonate

P Raiteri, R Demichelis, J Gale, M Kellermeier, D Gebauer, D Quigley, L Wright, T Walsh

(2012), Vol. 159, pp. 61-85, Faraday discussions, London, England, C1

journal

First-principles molecular dynamics simulations of NH 4+ and CH3COO- adsorption at the aqueous quartz interface

L Wright, T Walsh

(2012), Vol. 137, pp. 1-8, Journal of chemical physics, College Park, Md., C1-1

journal

Facet selectivity of binding on quartz surfaces: Free energy calculations of amino-acid analogue adsorption

L Wright, T Walsh

(2012), Vol. 116, pp. 2933-2945, Journal of physical chemistry C, Washington, D.C., C1-1

journal

Ab initio derived force-field parameters for molecular dynamics simulations of deprotonated amorphous-SiO2/water interfaces

A Butenuth, G Moras, J Schneider, M Koleini, S Koppen, R Meißner, L Wright, T Walsh, L Ciacchi

(2012), Vol. 249, pp. 292-305, Physica status solidi B, Weinheim, Germany, C1-1

journal
2011

Molecular dynamics simulations of the adsorption and dynamical behavior of single DNA components on TiO 2

S Monti, T Walsh

(2011), Vol. 115, pp. 24239-24246, Journal of physical chemistry C, Washington, D.C., C1-1

journal

Infrared-induced reactivity of N2O on small gas-phase rhodium clusters

S Hamilton, W Hopkins, D Harding, T Walsh, M Haertelt, C Kerpal, P Gruene, G Meijer, A Fielicke, S Mackenzie

(2011), Vol. 115, pp. 2489-2497, Journal of physical chemistry A, Washington, D.C., C1-1

journal

Aziridine scaffolds for the detection and quantification of hydrogen-bonding interactions through transition-state stabilization

L Giordano, C Hoang, M Shipman, J Tucker, T Walsh

(2011), Vol. 50, pp. 741-744, Angewandte chemie, Weinheim, Germany, C1-1

journal
2010

Free energy calculations of the adsorption of amino acid analogues at the aqueous titania interface

S Monti, T Walsh

(2010), Vol. 114, pp. 22197-22206, Journal of physical chemistry C, Washington, D.C., C1-1

journal

Probing the structures of gas-phase rhodium cluster cations by far-infrared spectroscopy

D Harding, P Gruene, M Haertelt, G Meijer, A Fielicke, S Hamilton, W Hopkins, S MacKenzie, S Neville, T Walsh

(2010), Vol. 133, pp. 1-9, Journal of chemical physics, College Park, Md., C1-1

journal

Solution study of engineered quartz binding peptides using replica exchange molecular dynamics

R Notman, E Oren, C Tamerler, M Sarikaya, R Samudrala, T Walsh

(2010), Vol. 11, pp. 3266-3274, Biomacromolecules, Washington, D.C., C1-1

journal

Investigation of the influence of surface defects on peptide adsorption onto carbon nanotubes

T Walsh, S Tomasio

(2010), Vol. 6, pp. 1707-1718, Molecular biosystems, Cambridge, England, C1-1

journal

Probing the molecular mechanisms of quartz-binding peptides

E Oren, R Notman, I Kim, J Evans, T Walsh, R Samudrala, C Tamerler, M Sarikaya

(2010), Vol. 26, pp. 11003-11009, Langmuir, Washington, D.C., C1-1

journal

Infrared induced reactivity on the surface of isolated size-selected clusters: dissociation of N2O on rhodium clusters

S Hamilton, W Hopkins, D Harding, T Walsh, P Gruene, M Haertelt, A Fielicke, G Meijer, S Mackenzie

(2010), Vol. 132, pp. 1448-1449, Journal of the American chemical society, Washington, D.C., C1-1

journal

Communications: the structure of Rh8 + in the gas phase

D Harding, T Walsh, S Hamilton, W Hopkins, S Mackenzie, P Gruene, M Haertelt, G Meijer, A Fielicke

(2010), Vol. 132, pp. 1-5, Journal of chemical physics, College Park, Md., C1-1

journal

Probing diameter-selective solubilisation of carbon nanotubes by reversible cyclic peptides using molecular dynamics simulations

S Friling, R Notman, T Walsh

(2010), Vol. 2, pp. 98-106, Nanoscale, Cambridge, England, C1-1

journal
2009

Interplay of sequence, conformation, and binding at the peptide-titania interface as mediated by water

A Skelton, T Liang, T Walsh

(2009), Vol. 1, pp. 1482-1491, ACS applied materials and interfaces, Washington, D.C., C1-1

journal

Modeling the binding affinity of peptides for graphitic surfaces. influences of aromatic content and interfacial shape

S Tomasio, T Walsh

(2009), Vol. 113, pp. 8778-8785, Journal of physical chemistry C, Washington, D.C., C1-1

journal

A multipole-based water potential with implicit polarization for biomolecular simulations

T Walsh, T Liang

(2009), Vol. 30, pp. 893-899, Journal of computational chemistry, Hoboken, N. J., C1-1

journal

Chemistry of (and on) transition metal clusters: a Fourier transform ion cyclotron resonance study of the reaction of niobium cluster cations with nitric oxide

D Harding, T Oliver, T Walsh, T Drewello, D Woodruff, P Derrick, S Mackenzie

(2009), Vol. 15, pp. 83-90, European journal of mass spectrometry, Chichester, England, C1-1

journal

Density functional theory calculations of vibrational spectra of rhodium oxide clusters

D Harding, S Mackenzie, T Walsh

(2009), Vol. 469, pp. 31-34, Chemical physics letters, Amsterdam, The Netherlands, C1-1

journal

Molecular dynamics studies of the interactions of water and amino acid analogues with quartz surfaces

R Notman, T Walsh

(2009), Vol. 25, pp. 1638-1644, Langmuir, Washington, D.C., C1-1

journal
2008

Oxides of small rhodium clusters: theoretical investigation of experimental reactivities

D Harding, R Davies, S Mackenzie, T Walsh

(2008), Vol. 129, pp. 2-8, Journal of chemical physics, Melville, N.Y., C1-1

journal
2007

Dramatic size effects and evidence of structural isomers in the reactions of rhodium clusters, Rhn±, with nitrous oxide

D Harding, M Ford, T Walsh, S Mackenzie

(2007), Vol. 9, pp. 2130-2136, Physical chemistry chemical physics, London, Eng., C1-1

journal

Simulation of the hydration structure of glycyl-alanine

T Liang, T Walsh

(2007), Vol. 33, pp. 337-342, Molecular simulation, Abingdon, Eng., C1-1

journal

Interaction of liquid water with the rutile TiO? (110) surface

A Skelton, T Walsh

(2007), Vol. 33, pp. 379-389, Molecular simulation, Abingdon, Eng., C1-1

journal

Atomistic modelling of the interaction between peptides and carbon nanotubes

S De Miranda Tomásio, T Walsh

(2007), Vol. 105, pp. 221-229, Molecular physics, Abingdon, Eng., C1-1

journal
2006

Structural Isomers and Reactivity for Rh(6) and Rh(6)+

D Harding, S Mackenzie, T Walsh

(2006), Vol. 110, pp. 18272-18277, Journal of physical chemistry B, Washington, D.C., C1-1

journal
2005

Exact exchange and Wilson-Levy correlation: a pragmatic device for studying complex weakly-bonded systems

T Walsh

(2005), Vol. 7, pp. 443-451, Physical chemistry chemical physics, Cambridge, Eng., C1-1

journal
2003

Towards an anisotropic bead-spring model for ribbonlike polymers: Monte Carlo simulations of liquid benzene

S Lorenz, T Walsh, A Sutton

(2003), Vol. 119, pp. 2903-2907, Journal of chemical physics, Melville, N.Y., C1-1

journal
2002

Towards an anisotropic bead-spring model for polymers: a Gay-Berne parametrization for benzene

T Walsh

(2002), Vol. 100, pp. 2867-2876, Molecular physics, Abingdon, Eng., C1-1

journal

An ab initio study of the low energy structures of the naphthalene dimer

T Walsh

(2002), Vol. 363, pp. 45-51, Chemical physics letters, Amsterdam, The Netherlands, C1-1

journal
2000

Hydrolysis of the amorphous silica surface. II. Calculation of activation barriers and mechanisms

T Walsh, M Wilson, A Sutton

(2000), Vol. 113, pp. 9191-9201, Journal of chemical physics, Melville, N.Y., C1-1

journal

A theoretical study of polyimide flexibility

T Walsh, C Harkins, A Sutton

(2000), Vol. 112, pp. 4402-4412, Journal of chemical physics, Melville, N.Y., C1-1

journal

Hydrolysis of the amorphous silica surface. I. Structure and dynamics of the dry surface

M Wilson, T Walsh

(2000), Vol. 113, pp. 9180-9190, Journal of chemical physics, Melville, N.Y., C1-1

journal
1998

Relaxation dynamics of C60

T Walsh, D Wales

(1998), Vol. 109, pp. 6691-6700, Journal of chemical physics, Melville, N.Y., C1-1

journal

Sulfur K? x-ray emission from carbonyl sulfide: variations with polarization and excitation energy at the S K threshold

K Miyano, U Arp, S Southworth, T Meehan, T Walsh, F Larkins

(1998), Vol. 57, pp. 2430-2435, Physical review A, New York, N.Y., C1-1

journal
1994

Prediction of molecular auger rates using a statistical model

T Walsh, T Meehan, F Larkins

(1994), Vol. 27, pp. 2211-2216, Journal of Physics B: Atomic, Molecular and Optical Physics, Bristol, Eng., C1-1

journal

Funded Projects at Deakin

Australian Competitive Grants

Bioinspired interfaces for improved carbon fibre composite performance

A/Prof Luke Henderson, Prof Bronwyn Fox, Dr Sally McArthur, Prof Tiffany Walsh, Dr Luke O'Dell, Prof Bronwyn Fox

ARC - Discovery Projects

  • 2016: $98,910
  • 2015: $127,522
  • 2014: $101,687

Interfacial Design for High Performance Carbon Fibre Polymer Composites

Prof Tiffany Walsh, A/Prof Luke Henderson, Prof Russell Varley

ARC - Discovery Projects

  • 2018: $61,182

Other Public Sector Funding

Underpinning Development in Advanced Materials with Molecular Simulation

Prof Tiffany Walsh

  • 2015: $90,000
  • 2014: $25,000
  • 2013: $50,000
  • 2012: $10,000

Industry and Other Funding

Bio-nanocombinatorics to Achieve Precisely-Assembled Multicomponent, Functional Hybrid Nanomaterials

Prof Paras Prasad, Prof Tiffany Walsh

  • 2017: $147,698
  • 2016: $106,940
  • 2015: $99,230
  • 2014: $18,729
  • 2013: $126,775
  • 2012: $43,390

Molecular Simulation of Interactions between von Willebrand Factor and Factor VIII

Prof Tiffany Walsh

  • 2016: $10,000
  • 2015: $10,000

Integration of Experiment and Modelling to Advance Biosensor Design based on Conformational Switching of Surface-Adsorbed Nucleic Acids

Prof Tiffany Walsh

  • 2017: $60,141
  • 2016: $63,147

Integration of Experiment and Modelling to Advance Biosensor Design based on Conformational Switching of Surface-Adsorbed Nucleic Acids

Prof Tiffany Walsh

  • 2016: $2,827

Optimization of Carbon Fiber Surfaces for Advanced Composites

A/Prof Luke Henderson, Prof Tiffany Walsh, Prof Russell Varley

  • 2017: $190,546

Investigation of membrane-mediated structures relevant to the Factor X-ase complex via molecular simulations

Prof Tiffany Walsh, Mr Vishal Pandya

  • 2017: $6,363

Supervisions

Principal Supervisor
2017

Baris Demir

Thesis entitled: Modelling Structure/Property Relationships of Carbon Fibre Reinforced Polymer Composites

Doctor of Philosophy (Engineering), Institute for Frontier Materials

Andrew Church

Thesis entitled: Molecular Dynamics Studies of Conformational Switching Hydroxyapatite Binding Proteins

Doctor of Philosophy (Engineering), Institute for Frontier Materials

Anas Mufid Nasri Sultan

Thesis entitled: Biomolecular Adsorption at Medical Implant Interfaces: Insights from Molecular Simulation

Doctor of Philosophy (Engineering), Institute for Frontier Materials

2016

Kurt Drew

Thesis entitled: Investigation of Conformationally Switchable Biomolecular Ligands at Aqueous Metallic Interfaces

Doctor of Philosophy (Engineering), Institute for Frontier Materials

Aaron Brown

Thesis entitled: Learning from nature: Polymorph-selective binding of the nacre peptide n16N

Doctor of Philosophy (Engineering), Institute for Frontier Materials