Meetings & Events

 

2013 MRS Fall Meeting Logo2013 MRS Fall Meeting & Exhibit

December 1-6, 2013 | Boston
Meeting Chairs: Charles Black, Elisabetta Comini, Gitti Frey, Kristi Kiick, Loucas Tsakalakos

Symposium A : Modeling and Theory-Driven Design of Soft Materials

2013-12-02   Show All Abstracts

Symposium Organizers

Meenakshi Dutt, Rutgers University
Yaroslava Yingling, North Carolina State University
Valeriy V. Ginzburg, The Dow Chemical Company
Mark Rodger, University of Warwick

Symposium Support

Dow Chemical Company
NSF DMR Biomaterials
A2: Membranes and Tissues
Session Chairs
Stefan Zauscher
Meenakshi Dutt
Monday PM, December 02, 2013
Sheraton, 2nd Floor, Independence W

2:30 AM - *A2.01
Multiscale Modeling of Phospholipid Bilayers: LIME/DMD Simulations

Emily Marie Curtis 1 Carol K Hall 1

1North Carolina State University Raleigh USA

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3:00 AM - A2.02
Transmembrane Nanoparticles: Thermodynamics and Kinetics

Reid C Van Lehn 1 Prabhani U Atukorale 2 Randy P Carney 3 Yu-Sang Yang 2 Francesco Stellacci 3 Darrell J Irvine 1 2 Alfredo Alexander-Katz 1

1MIT Cambridge USA2MIT Cambridge USA3EPFL Lausanne Switzerland

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3:15 AM - A2.03
Revisiting the Entropic Force between Fluctuating Lipid Bilayer Membranes

Yuranan Hanlumyuang 1 Liping Liu 2 Pradeep Sharma 1

1University of Houston Houston USA2Rutgers University Piscataway USA

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3:30 AM - A2.04
How to Make an Artificial Phagocyte Using a Lipid Vesicle and a Responsive Microgel

Alexander Alexeev 1 Katherine C. Polhemus 1 Ayuko Morikawa 1

1Georgia Institute of Technology Atlanta USA

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3:45 AM - A2.05
Computational Investigations on the Role of Molecular Architecture on Morphology, and Properties of Bio-inspired Soft Materials

Evan Koufos 1 2 Meenakshi Dutt 2

1Lehigh University Bethlehem USA2Rutgers University Piscataway USA

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4:00 AM -
Break

4:30 AM - *A2.06
Molecular Crystallization and Mesoscale Geometry of Multicomponent Ionic Membranes

Monica Olvera de la Cruz 1

1Northwestern University Evanston USA

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5:00 AM - A2.07
Modeling Driven Design of Multi-Component Nanostructured Soft Biomaterials

Fikret Aydin 1 Meenakshi Dutt 1

1Rutgers University Piscataway USA

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5:15 AM - A2.08
Composite Structural Mechanics of Dorsal Lamella in Remora Fish

Michael Culler 1 Jason H. Nadler 2

1Georgia Institute of Technology Altanta USA2Georgia Tech Research Institute Altanta USA

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5:30 AM - A2.09
Activated Pathways for the Directed Insertion of Patterned Nanoparticles into Polymeric Membranes

Christina Ting 1 Amalie Frischknecht 1

1Sandia National Laboratories Albuquerque USA

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5:45 AM - A2.10
Spreading and Superspreading of Droplets of Trisiloxane Surfactants and Their Aqueous Solutions on Soft Substrates

Rolf E. Isele-Holder 1 Ahmed E. Ismail 1

1RWTH Aachen University Aachen Germany

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A1: Bio-Inspired Materials
Session Chairs
Meenakshi Dutt
Melissa Pasquinelli
Monday AM, December 02, 2013
Sheraton, 2nd Floor, Independence W

9:30 AM - *A1.01
Designing DNA-Grafted Particles that Self-Assemble into Desired Crystalline Structures Using the Genetic Algorithm

Sanat Kumar 1

1Columbia University New York USA

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10:00 AM - A1.02
Plasmon-Controlled Light-Harvesting: Design Rules for Biohybrid Devices via Multiscale Modeling

Oliviero Andreussi 1 Alessandro Biancardi 1 Stefano Corni 2 Benedetta Mennucci 1

1University of Pisa Pisa Italy2CNR-Istituto Nanoscienze Modena Italy

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10:15 AM - A1.03
Peptide Sampling and Surface Interactions at Aqueous Titania Interface Using Replica Exchange with Solute Tempering Molecular Dynamics

Anas Sultan 1 Zak Hughes 1 J. Pablo Palafox-Hernandez 1 Tiffany Walsh 1

1Institute for Frontier Materials, Deakin University Geelong Australia

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10:30 AM - A1.04
Atomistic Simulations of Self Assembly Monolayers on Au Surface Under Realistic Conditions

Huachuan Wang 1 Yongsheng Leng 1

1George Washington University Washington USA

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10:45 AM - A1.05
Towards An Atomistic Understanding of Binding Principles for Gold-Binding Peptides

J. Pablo Palafox-Hernandez 1 Tiffany R Walsh 1

1Institute for Frontier Materials, Deakin University Waurn Ponds Australia

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11:00 AM -
BREAK

11:30 AM - *A1.06
Enzyme Catalyzed Polymerization of DNA Amphiphiles and Their Self-Assembly into Star-like Micelles

Lei Tang 1 Yaroslava Yingling 3 Ashutosh Chilkoti 2 Stefan Zauscher 1

1Duke University Durham USA2Duke University Durham USA3North Carolina State University Raleigh USA

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12:00 PM - A1.07
Understanding the Entropic Effects of Polymer Conjugation on Peptide Assembly and Ordering

Luis Ruiz 1 Sinan Keten 1

1Northwestern University Evanston USA

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12:15 PM - A1.08
Ionic Aggregate Morphologies in Precise Ionomers

Dan S. Bolintineanu 1 C. Francisco Buitrago 2 Mark J. Stevens 1 Karen I. Winey 2 Amalie L. Frischknecht 1

1Sandia National Laboratories Albuquerque USA2University of Pennsylvania Philadelphia USA

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12:30 PM - A1.09
Optical Properties and van der Waals-London Dispersion Interactions in Inorganic and Biomolecular Assemblies

Yingfang Ma 1 Daniel M. Dryden 1 Diana Mercedes Acosta 2 Lijia Liu 3 Lin DeNoyer 4 Wai-Yim Ching 5 Nicole F. Steinmetz 2 6 1 Rudolf Podgornik 7 8 9 Roger H. French 1 V. Adrian Parsegian 9

1Case Western Reserve University Cleveland USA2Case Western Reserve University Cleveland USA3Case Western Reserve University Cleveland USA4Spectrum Square Associates Inc. Ithaca USA5University of Missouri-Kansas City Kansas City USA6Case Western Reserve University Cleveland USA7University of Ljubljana Ljubljana Slovenia8J. Stefan Institute Ljubljana Slovenia9University of Massachusetts Amherst Amherst USA

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12:45 PM - A1.10
Interactions of Nanoparticles with DNA: Interplay of Sequence, Ligands Charge and Concentration

Abhishek Singh 1 Nan Li 1 Jessica Nash 1 Yaroslava G Yingling 1

1NC State University Raleigh USA

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2013-12-03   Show All Abstracts

Symposium Organizers

Meenakshi Dutt, Rutgers University
Yaroslava Yingling, North Carolina State University
Valeriy V. Ginzburg, The Dow Chemical Company
Mark Rodger, University of Warwick

Symposium Support

Dow Chemical Company
NSF DMR Biomaterials
A4: Elastomers, Gels and Liquid Crystals
Session Chairs
Valeriy V. Ginzburg
Alexander Alexeev
Tuesday PM, December 03, 2013
Sheraton, 2nd Floor, Independence W

2:30 AM - *A4.01
Strain Recovery and Self-Healing in Dual Cross-Linked Nanoparticle Networks

Balaji V. S. Iyer 1 Victor V. Yashin 1 Tomasz Kowalewski 2 Krzysztof Matyjaszewski 2 Anna C. Balazs 1

1University of Pittsburgh Pittsburgh USA2Carnegie Mellon University Pittsburgh USA

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3:00 AM - A4.02
Nano Scale Structure and Mechanical Properties of Hydrogels

Hossein Salahshoor 1 Nima Rahbar 1

1Worcester Polytechnic Institute Worcester USA

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3:15 AM - A4.03
Model of Hybrid Crosslink Single Polymer Network Hydrogels

Josef Jancar 1 Jan Zidek 1 Andrey Milchev 2 Thomas A. Vilgis 3

1Brno University of Technology Brno Czech Republic2Brno University of Technology Brno Czech Republic3BAS Sofia Bulgaria

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3:30 AM - A4.04
Revealing a New Molecular Subunit That Leads to Giant Reversible Thermal Contraction

Jennifer Lu 1 XingYuan Shen 1 Christopher Viney 1 Erin Johnson 1

1University of California at Merced Merced USA

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3:45 AM - A4.05
Molecular Modeling of Liquid Crystal Elastomers

Gregor Skacej 1 2 Claudio Zannoni 3

1University of Ljubljana, Faculty of Mathematics and Physics Ljubljana Slovenia2NAMASTE Center of Excellence Ljubljana Slovenia3University of Bologna Bologna Italy

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4:00 AM -
Break

4:30 AM - A4.06
A Multiscale Finite Element Analysis Approach towards the Design of Tissue Simulant Materials

Roza Mahmoodian 1 Krystyn Van Vliet 1

1MIT Cambridge USA

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4:45 AM - A4.07
Hydrogels as a Barrier against Pathogens

Polina Pine 1 Gabriel S Longo 2 Igal Szleifer 3

1Northwestern University Evanston USA2Northwestern University Evanston USA3Northwestern University Evanston USA

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5:00 AM - A4.08
Thermotropic Liquid Crystalline Side Chain Elastomers

David Thomas 1 Matthew Cardarelli 1 Peggy Cebe 1 Badel Mbanga 1 Timothy Atherton 1 Antoni Sanchez-Ferrer 2

1Tufts University Medford USA2Swiss Federal Institute of Technology Zurich Switzerland

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5:15 AM - A4.09
Building Blocks of Disclination Networks in Nematic Colloids

Simon Copar 1 2 Slobodan Zumer 1 3

1University of Ljubljana Ljubljana Slovenia2University of Pennsylvania Philadelphia USA3Jozef Stefan Institute Ljubljana Slovenia

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5:30 AM - A4.10
Elastic Wave Propagation and Instabilities in Hyperelastic Layered Media Undergoing Finite Deformations

Stephan Rudykh 1 Mary C. Boyce 1

1Massachusetts Institute of Technology Cambridge USA

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A3: Polymer Nanocomposites
Session Chairs
Yaroslava Yingling
Amalie Frischknecht
Tuesday AM, December 03, 2013
Sheraton, 2nd Floor, Independence W

9:30 AM - *A3.01
Mobility of Nano-Particles in Associative Polymeric Networks

Paul Takhistov 1 Phong Huynh 1

1Rutgers University New Brunswick USA

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10:00 AM - A3.02
Dynamics of Dual-Crosslinked Polymer Grafted Nanoparticle Networks under Oscillatory Shear

Balaji Iyer Vaidyanathan Shantha 1 Victor Yashin 1 Tomasz Kowalewski 2 Krzysztof Matyjaszewski 2 Anna Balazs 1

1University of Pittsburgh Pittsburgh USA2Carnegie Mellon University Pittsburgh USA

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10:15 AM - A3.03
Molecular Dynamics Simulations of Polyimide-Carbon Nanotube Nanocomposites

Qian Jiang 1 Syamal S Tallury 2 3 Yiping Qiu 1 Melissa A Pasquinelli 2

1Donghua University Shanghai China2North Carolina State University Raleigh USA3North Carolina State University Raleigh USA

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10:30 AM - A3.04
Transferable Potentials for Multiscale Polymer Simulations

Nico van der Vegt 1 Emiliano Brini 1 Valentina Marcon 1

1Darmstadt University of Technology Darmstadt Germany

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10:45 AM - A3.05
Meso-Scale Simulations of Poly(N-isopropylacrylamide) Grafted Architectures

Derrick C Mancini 1 Sanket Deshmukh 2 Subramanian K.R.S. Sankaranarayanan 2 Ganesh Kamath 3

1Argonne National Laboratory Argonne USA2Argonne National Laboratory Argonne USA3University of Missouri Columbia Columbia USA

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11:00 AM -
Break

11:30 AM - *A3.06
Compliant and Reconfigurable Nanocomposites: Fabrication, Testing, and Simulations

Vladimir Tsukruk 2 Alex Alexeev 1

1Georgia Institute of Technology Atlanta USA2Georgia Institute of Technology Atlanta USA

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12:00 PM - A3.07
When Are Hierarchical Stochastic Microstructures Desirable?

Catalin Picu 1 Zhi Li 1 Monica Soare 2 Dan Constantinescu 3 Stefan Sorohan 3

1Rensselaer Polytechnic Institute Troy USA2General Electric Global Research Niskayuna USA3University Politehnica Bucharest Bucharest Romania

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12:15 PM - A3.08
Computational Design of Stimuli-Responsive Graphene/Epoxy Bi-layers

Chunyu Li 1 2 Alejandro Strachan 1 2

1Purdue University West Lafayette USA2Purdue University West Lafayette USA

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12:30 PM - A3.09
Effects of Polydispersity in Graft and Matrix Polymer on the Morphology of Composites Comprising Polymer Grafted Nanoparticles in a Polymer Matrix: A Theory and Simulation Study

Arthi Jayaraman 1 Tyler B. Martin 1

1University of Colorado at Boulder Boulder USA

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12:45 PM - A3.10
Mechanistic Investigation of Shear Load Transfer between Dissimilar Tablets

Rouzbeh Shahsavari 1

1Rice University Houston USA

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2013-12-04   Show All Abstracts

Symposium Organizers

Meenakshi Dutt, Rutgers University
Yaroslava Yingling, North Carolina State University
Valeriy V. Ginzburg, The Dow Chemical Company
Mark Rodger, University of Warwick

Symposium Support

Dow Chemical Company
NSF DMR Biomaterials
A6: Nanoparticles, Colloids and Surface Science
Session Chairs
Mark Rodger
Lisa Hall
Wednesday PM, December 04, 2013
Sheraton, 2nd Floor, Independence W

2:30 AM - *A6.01
Assessment of Mesoscopic Methods for Simulation of Complex Fluids in Microfluidic Geometries

Ronald Larson 1 Tongyang Zhao 2 1 Lei Jiang 1

1Univ. of Michigan Ann Arbor USA2Tsinghua University Beijing China

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3:00 AM - A6.02
Using Molecular Simulations to Link Chemical and Physical Features of Conjugated Polymers and Fullerene Derivatives to Bulk Heterojunction Morphology for Organic Photovoltaics

Hilary Marsh 1 Eric Jankowski 1 Arthi Jayaraman 1

1University of Colorado at Boulder Boulder USA

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3:15 AM - A6.03
Modeling Polymer-Grafted Nanoparticle Networks Reinforced by Strong Chains

Matthew James Hamer 1 Balaji V S Iyer 1 Victor V Yashin 1 Tomasz Kowalewski 2 Krzysztof Matyjaszewski 2 Anna C Balazs 1

1University of Pittsburgh Pittsburgh USA2Carnegie Mellon University Pittsburgh USA

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3:30 AM - A6.04
Computer Simulations of Metal Ion Adsorption onto Surfaces Grafted with Dendrimers

Leebyn Chong 1 Meenakshi Dutt 1

1Rutgers University Piscataway USA

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3:45 AM - A6.05
Structure, Dynamics and Primitive Path Network of Polymer Nanocomposites Containing Spherical Nanoparticles

Argyrios Karatrantos 1 Nigel Clarke 1 Russel J. Composto 2 Karen I. Winey 2

1University of Sheffield Sheffield United Kingdom2University of Pennsylvania Philadelphia USA

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4:00 AM -
Break

4:30 AM - *A6.06
Functional Droplets for Nanoparticle Pickup

Todd Emrick 1

1University of Massachusetts Amherst USA

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5:00 AM - A6.07
The Fluctuating Lattice Boltzmann Method for Non-Ideal Fluids: Theory and Application

Fathollah Varnik 1 Markus Gross 1

1Ruhr University Bochum Bochum Germany

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5:15 AM - A6.08
Complex Crystal Structures in Tethered Nanoparticle Telechelics

Ryan Marson 1 Carolyn L. Phillips 2 Joshua A. Anderson 3 Sharon C. Glotzer 3 1

1University of Michigan Ann Arbor USA2University of Michigan Ann Arbor USA3University of Michigan Ann Arbor USA

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5:30 AM - A6.09
Targeted Lipid Bilayer Deformation by Insertion of Monolayer-Protected Gold Nanoparticles

Reid C Van Lehn 1 Alfredo Alexander-Katz 1

1MIT Cambridge USA

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5:45 AM - A6.10
Computational Study on Cluster Formation of Colloidal Nanoparticles: A Kinetic Monte Carlo Simulation and Rate Theory Modeling on Scaling Behaviors of Clusters

Seok Joon Kwon 1 T. Alan Hatton 2

1MIT/KIST Cambridge USA2MIT Cambridge USA

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A5: Biopolymers: Proteins, Peptides and Nucleic Acids
Session Chairs
Yaroslava Yingling
Alfredo Alexander-Katz
Wednesday AM, December 04, 2013
Sheraton, 2nd Floor, Independence W

9:30 AM - *A5.01
Single-Molecule Electro-Osmotic Devices: Pistons and Tweezers

Michael Rubinstein 1 Yanqian Wang 1 Sergey Panyukov 2 Jinsheng Zhou 1 Laurent D. Menard 1 John Michael Ramsey 1

1University of North Carolina Chapel Hill USA2Russian Academy of Sciences Moscow Russian Federation

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10:00 AM - A5.02
On the Continuity of States between DNA-Ordering Transitions in Mono- and Multi-Valent Salt Solutions

Selcuk Yasar 1 Rudolf Podgornik 1 Vozken Adrian Parsegian 1

1University of Massachusetts Amherst USA

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10:15 AM - A5.03
Computational and Experimental Observations of the Cellulose Dissolution Mechanism in Ionic Liquids

Brooks D. Rabideau 1 2 3 Animesh Agarwal 1 Joern Viell 1 2 Ahmed E. Ismail 1 2 3

1RWTH Aachen University Aachen Germany2RWTH Aachen Univ. Aachen Germany3RWTH Aachen University Aachen Germany

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10:30 AM - A5.04
Molecular Dynamics Studies Reveal Mutable Inverse Temperature Transition in Silk-Elastin-like Protein Polymers

Anna Tarakanova 1 Wenwen Huang 2 David L. Kaplan 2 Markus J. Buehler 1

1MIT Cambridge USA2Tufts University Medford USA

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10:45 AM -
A5.05 TRANSFERRED TO A8.03

11:00 AM -
Break

11:30 AM - *A5.06
Surface Dynamics of Self-Assembling Engineered Dodecapeptides on Graphene

Mehmet Sarikaya 1 Sefa Dag 1

1University of Washington Seattle USA

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12:00 PM - A5.07
Understanding Molecular Mechanisms of Size Control of Peptide Directed Palladium Nanocrystals and Catalytic Activity in Coupling Reactions

Hadi Ramezani-Dakhel 1 Marc R. Knecht 2 Rajesh R. Naik 3 Rajiv J. Berry 3 Peter A. Mirau 3 Hendrik Heinz 1

1The University of Akron Akron USA2University of Miami Coral Gables USA3Air Force Research Laboratory Dayton USA

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12:15 PM - A5.08
Development and Validation of a Polarizable Bio-Interfacial Force-Field for Aqueous Silver Interfaces

Zak E Hughes 1 Louise B Wright 2 Tiffany R Walsh 1

1Deakin University Geelong Australia2Warwick University Coventry United Kingdom

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12:30 PM - A5.09
Solution Structure of the Intrinsically Disordered Peptide n16N, Using Replica Exchange Molecular Dynamics

Aaron Hugh Brown 1 2 Mark Rodger 2 Tiffany R Walsh 2

1University of Warwick Coventry United Kingdom2Deakin University Geelong Australia

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12:45 PM - A5.10
Design and Characterization of Multi-Component Nanostructured Biomaterials

Meenakshi Dutt 1

1Rutgers The State University of New Jersey Piscataway USA

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2013-12-05   Show All Abstracts

Symposium Organizers

Meenakshi Dutt, Rutgers University
Yaroslava Yingling, North Carolina State University
Valeriy V. Ginzburg, The Dow Chemical Company
Mark Rodger, University of Warwick

Symposium Support

Dow Chemical Company
NSF DMR Biomaterials
A8: Self-Assembly of Soft Materials
Session Chairs
Mark Rodger
Sinan Keten
Thursday PM, December 05, 2013
Sheraton, 2nd Floor, Independence W

3:00 AM - A8.02
Modeling the Nonequilibrium Assembly of Sequence-Specific Polymers into Complex Structures with a Novel Coarse-Grained Modeling Approach

Thomas K Haxton 1 Ranjan Mannige 1 Ronald N Zuckermann 1 Stephen Whitelam 1

1Lawrence Berkeley National Laboratory Berkeley USA

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3:15 AM - A8.03
Secondary Structure Transitions in Spider Silk: A Simulation Approach

Tristan Giesa 1 Carole C. Perry 2 Markus J. Buehler 1

1MIT Cambridge USA2Nottingham Trent University Nottingham United Kingdom

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