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 served on the Australian Research Council (ARC) College of Experts from 2015-2017, and currently serves on the ARC Medical Research Advisory Group.

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

Currently Funded Projects:

  1. Mapping, Modelling, and Manipulating Graphene Oxide Interfaces. Funded by the Australian Research Council.(2019-2021)
  2. Developing a Microkinetic Model for Mineral Wool Dissolution, Funded by Rockwool Group (2019-2021)
  3. Peptide-driven Exfoliation and Organization of Multi-compositional 2D Nanomaterials. Funded by the US Air Force Office for Scientific Research (2018-2021).
  4. Optimization of Carbon Fiber Surfaces for Advanced Composites. Funded by the US Office for Naval Research (2018-2020).
  5. Interfacial Design for High Performance Carbon Fibre Polymer Composites. Funded by the Australian Research Council.(2018-2020)
  6. Investigation of membrane-mediated structures relevant to the Factor X-ase complex via molecular simulations. Funded by CSL Ltd. (2017-2019)

Past Projects:

  1. 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).
  2. Bioinspired Interfaces for Improved Carbon Fibre Composite Performance. Funded by the Australian Research Council.(2014-2016)
  3. Molecular Simulations of Blood Protein Therapeutics. Consultancy, funded by CSL Ltd. (2015-2016).
  4. 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)
  5. Aiding Developments in Advanced Materials. Funded by veski.  (2012-2015)
  6. 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)

Publications

Filter by

2020

Molecular-Level Insights into Biologically Driven Graphite Exfoliation for the Generation of Graphene in Aqueous Media

A Parab, A Budi, J Slocik, R Rao, R Naik, T Walsh, M Knecht

(2020), Vol. 124, Journal of Physical Chemistry C, C1

journal article

Using molecular entanglement as a strategy to enhance carbon fiber-epoxy composite interfaces

D Eyckens, B Demir, J Randall, T Gengenbach, L Servinis, T Walsh, L Henderson

(2020), Vol. 196, Composites Science and Technology, C1

journal article

DNA Hairpin Adsorption on Gold Surfaces: Temperature and Salt Concentration Effects on Structure

K Drew, T Walsh

(2020), Australian Journal of Chemistry, C1

journal article

Interaction between Polysialic Acid and the MARCKS-ED Peptide at the Molecular Level

S Iqbal, T Walsh, A Rodger, N Packer

(2020), Vol. 11, pp. 1944-1954, ACS Chemical Neuroscience, C1

journal article

Side-chain effects on the co-existence of emergent nanopatterns in amino acid adlayers on graphene

J Awuah, T Walsh

(2020), Vol. 12, pp. 13662-13673, Nanoscale, C1

journal article
2019

Elucidating polymorph-selective bioadsorption on chitin surfaces

A Brown, T Walsh

(2019), Vol. 5, pp. 594-602, ACS biomaterials science and engineering, Washington, D.C., C1

journal article

Designing carbon fiber composite interfaces using a 'graft-to' approach: Surface grafting density versus interphase penetration

J Randall, D Eyckens, L Servinis, F Stojcevski, L O'Dell, T Gengenbach, B Demir, T Walsh, L Henderson

(2019), Vol. 146, pp. 88-96, Carbon, Amsterdam, The Netherlands, C1

journal article

Epoxy-gold nanoparticle nanocomposites with enhanced thermo-mechanical properties: an integrated modelling and experimental study

B Demir, K Chan, D Yang, A Mouritz, H Lin, B Jia, K Lau, T Walsh

(2019), Vol. 174, pp. 106-116, Composites science and technology, Amsterdam, The Netherlands, C1

journal article

Experimental and theoretical tools to elucidate the binding mechanisms of solid-binding peptides

R Bansal, A Care, M Lord, T Walsh, A Sunna

(2019), Vol. 52, pp. 9-18, New biotechnology, Amsterdam, The Netherlands, C1

journal article

Simultaneously increasing the hydrophobicity and interfacial adhesion of carbon fibres: a simple pathway to install passive functionality into composites

Chantelle Arnold, Daniel Eyckens, Linden Servinis, Mark Nave, Huaying Yin, Ross Marceau, Jean Pinson, Baris Demir, Tiffany Walsh, Luke Henderson

(2019), Vol. 7, pp. 13483-13494, Journal of materials chemistry a, Cambridge, Eng., C1

journal article

Tuning the structure and chiroptical properties of gold nanoparticle single helices via peptide sequence variation

S Mokashi-Punekar, T Walsh, N Rosi

(2019), Vol. 141, pp. 15710-15716, Journal of the American Chemical Society, Washington, D.C., C1

journal article

Biomolecular material recognition in two dimensions: peptide binding to graphene, h-BN, and MoS? nanosheets as unique bioconjugates

T Walsh, M Knecht

(2019), Vol. 30, pp. 2727-2750, Bioconjugate chemistry, Washington, D.C., C1

journal article

Predictions of pattern formation in amino acid adlayers at the in vacuo graphene interface: influence of termination state

J Awuah, T Walsh

(2019), pp. 1-11, Small, Chichester, Eng., C1

journal article

A Bespoke Force Field to Describe Biomolecule Adsorption at the Aqueous Boron Nitride Interface

A Budi, T Walsh

(2019), Vol. 35, pp. 16234-16243, Langmuir, Washington, D.C., C1

journal article

Predictions of Thermo-Mechanical Properties of Cross-Linked Polyacrylamide Hydrogels Using Molecular Simulations

Meng An, Boris Demir, Xiao Wan, Han Meng, Nuo Yang, Tiffany Walsh

(2019), Vol. 2, pp. 1-13, Advanced theory and simulations, London, Eng., C1

journal article
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, Abingdon, Eng., C1

journal article

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 article

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

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

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

journal article

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 article

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 article

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

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

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

journal article

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 article

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 article

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 article

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 article

Optimization of carbon fiber surfaces for reinforcement in advanced polymer composites

L Henderson, R Varley, F Stojcevski, J Randall, D Eyckens, B Demir, T Walsh

(2018), Vol. 4, pp. 2492-2498, ASC 2018 : Proceedings of the 33rd Technical Conference of the American Society for Composites, Seattle, Washington, E1

conference
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 article

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 article

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 article

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, C1

journal article

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 article

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 article

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 article
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 article

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 article

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 article

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 gren, P Prasad

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

journal article

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 article

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 article

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 article

Determination of Kamlet-Taft parameters for selected solvate ionic liquids (vol 18, pg 13153, 2016)

Daniel Eyckens, Baris Demir, Tiffany Walsh, Tom Welton, Luke Henderson

(2016), Vol. 18, pp. 19975-19975, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, C1

journal article

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 article

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 article

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, C1

journal article

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 article

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

Beverly Briggs, J Palafox-Hernandez, Yue Li, Chang-Keun Lim, Taylor Woehl, Nicholas Bedford, Soenke Seifert, Mark Swihart, Paras Prasad, Tiffany Walsh, Marc Knecht

(2016), Vol. 18, pp. 30845-30856, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, C1

journal article
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 article

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 article

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 article

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

Z Hughes, T Walsh

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

journal article

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 article

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 article

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 article

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

D Bray, T Walsh, M Noro, R Notman

(2015), Vol. 10, PLoS ONE, C1

journal article

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 article

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 article

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 article

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 article

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, Proceedings - 2015 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2015, E1

conference
2014

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

book chapter

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 article

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

Z Hughes, S Tomsio, T Walsh

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

journal article

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 article

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 article

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 and Interfaces, C1

journal article

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 article

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 article
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, C1

journal article

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, C1

journal article

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, C1

journal article

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, C1

journal article

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 article

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, C1

journal article

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. 13217-13229, Langmuir, C1

journal article

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, C1

journal article

Benzene adsorption at the aqueous (0 1 1) ?-quartz interface: Is surface flexibility important?

L Wright, C Freeman, T Walsh

(2013), Vol. 39, pp. 1093-1102, Molecular Simulation, C1

journal article

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, C1

journal article

First-principles-based force field for the interaction of proteins with Au(100)(5 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, C1

journal article

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
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, C1

journal article

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

L Wright, T Walsh

(2012), Vol. 137, Journal of Chemical Physics, C1-1

journal article

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, C1-1

journal article

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 Kppen, R Meiner, L Wright, T Walsh, L Ciacchi

(2012), Vol. 249, pp. 292-305, Physica Status Solidi (B) Basic Research, C1-1

journal article
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. 24238-24246, Journal of Physical Chemistry C, C1-1

journal article

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, C1-1

journal article

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 - International Edition, C1-1

journal article
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, C1-1

journal article

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, Journal of Chemical Physics, C1-1

journal article

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, C1-1

journal article

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, C1-1

journal article

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, C1-1

journal article

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, C1-1

journal article

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, Journal of Chemical Physics, C1-1

journal article

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, C1-1

journal article
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, C1-1

journal article

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

S Tomsio, T Walsh

(2009), Vol. 113, pp. 8778-8785, Journal of Physical Chemistry C, C1-1

journal article

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, C1-1

journal article

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, C1-1

journal article

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, C1-1

journal article

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, C1-1

journal article
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 article
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 article

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 article

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 article

Atomistic modelling of the interaction between peptides and carbon nanotubes

S De Miranda Tomsio, T Walsh

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

journal article
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 article
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 article
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 article
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 article

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 article
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 article

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 article

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 article
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 article

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 article
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 article
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Material composition and peptide sequence affects biomolecule affinity to and selectivity for h-boron nitride and graphene

Nermina Brljak, Atul Parab, Rahul Rao, Joseph Slocik, Rajesh Naik, Marc Knecht, Tiffany Walsh

(), Chemical Communications, C1

journal article

Funded Projects at Deakin

Australian Competitive Grants

Bioinspired interfaces for improved carbon fibre composite performance

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, Prof Luke Henderson, Prof Russell Varley

ARC - Discovery Projects

  • 2020: $56,011
  • 2019: $73,485
  • 2018: $72,836

Mapping, modelling and manipulating graphene oxide

Prof Tiffany Walsh, Asst/Prof Neil Wilson, A/Prof Jonathan Rourke

ARC - Discovery Projects

  • 2020: $87,193
  • 2019: $111,760

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

Prof Luke Henderson, Prof Tiffany Walsh, Prof Russell Varley

  • 2019: $226,681
  • 2018: $197,360
  • 2017: $190,546

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

Prof Tiffany Walsh, Mr Vishal Pandya

  • 2019: $6,363
  • 2018: $6,363
  • 2017: $6,363

Peptide-driven exfoliation and organization of multi-compositional 2D nanomaterials

Prof Tiffany Walsh, Prof Marc Knecht

  • 2019: $143,403

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