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2015 MRS Fall Meeting Logo2015 MRS Fall Meeting & Exhibit

November 29-December 4, 2015 | Boston
Meeting Chairs: T. John Balk, Ram Devanathan, George G. Malliaras, Larry A. Nagahara, Luisa Torsi

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

2015-11-30   Show All Abstracts

Symposium Organizers

Meenakshi Dutt, Rutgers, The State University of New Jersey
Hendrik Heinz, University of Colorado-Boulder
Tiffany Walsh, Deakin University
Yaroslava Yingling, North Carolina State University

Symposium Support

Air Force Office of Scientific Research
Army Research Office
National Science Foundation
WW2: Colloidal Systems
Session Chairs
Yaroslava Yingling
Meenakshi Dutt
Monday PM, November 30, 2015
Sheraton, 2nd Floor, Back Bay C

2:30 AM - *WW2.01
Digital Alchemy for Materials Design

Sharon C. Glotzer 1

1Univ of Michigan Ann Arbor United States

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3:00 AM - WW2.02
Role of Ligand Dynamics in Structural Stability and Pressure Behavior of Supercrystals Self-Assembled from Crystalline Nanoparticles

Badri Narayanan 1 Sanket A Deshmukh 1 Ganesh Kamath 2 Elena Shevchenko 1 Subramanian Sankaranarayanan 1

1Argonne National Laboratory Lemont United States2University of Missouri Columbia United States

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3:15 AM - WW2.03
Structure of Nanocluster Au24(SCys-CysS)8 Identified by Theoretical and Experimental Studies

Lina Zhao 1

1Chinese Academic Sciences Beijing China

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3:30 AM - *WW2.04
Interactions, Aggregation and Self-Assembly of Distributions of Colloids

George Opletal 1 Lin Lai 1 Amanda Susan Barnard 1

1CSIRO Parkville VIC Australia

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4:00 AM - WW2
Break

4:30 AM - *WW2.05
Entropic Control over Nanoscale Colloidal Crystals

Nathan A. Mahynski 1 Sanat Kumar 2 Athanassios Panagiotopoulos 1

1Princeton University Princeton United States2Columbia University New York United States

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5:00 AM - WW2.06
Pressure Measurement in Large Simulations of Hard Colloids

Michael Eric Irrgang 1 Michael Engel 1 Joshua A Anderson 1 Sharon Glotzer 1

1University of Michigan Ann Arbor Ann Arbor United States

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5:15 AM - WW2.07
Fundamental Thermodynamic Models for Self and Directed Assembly of Small Ensembles of Colloidal Particles

Raghuram Thyagarajan 1 Dimitrios Maroudas 1 David Ford 1

1Univ of Massachusetts-Amherst Amherst United States

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5:30 AM - WW2.08
Tunable Long Range Forces Mediated by Self-Propelled Colloidal Hard Spheres

Ran Ni 1 Martien Cohen Stuart 2 Peter Bolhuis 1

1University of Amsterdam Amsterdam Netherlands2Wageningen University Wageningen Netherlands

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5:45 AM - WW2.09
Shape Allophiles Improve Entropic Assembly

Eric Harper 1 Ryan L. Marson 1 Joshua A Anderson 1 Greg van Anders 1 Sharon Glotzer 1

1University of Michigan Ann Arbor United States

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WW1: Bioinspired Materials
Session Chairs
Yaroslava Yingling
Meenakshi Dutt
Monday AM, November 30, 2015
Sheraton, 2nd Floor, Back Bay C

9:30 AM - *WW1.01
Revealing Molecular Features that Modulate Mesoscale Biomolecular Phenomena

Gregory Voth 1

1University of Chicago Chicago United States

Show Abstract

10:00 AM - WW1.02
Modeling of Morphological Versatility in Self-Assembly of Val-Ala and Ala-Val Dipeptides

Elif Candas 1 Gizem Gokce 1 Busra Demir 3 Gokhan Demirel 2 Ersin Emre Oren 1

1TOBB University of Economics and Technology Ankara Turkey2Gazi University Ankara Turkey3TOBB University of Economics and Technology Ankara Turkey

Show Abstract

10:15 AM - WW1.03
Computational Design of Soft Materials via Coupling of Particle Dynamics and Continuum Approaches

Xiang Yu 1 Fikret Aydin 1 Leebyn Chong 1 Meenakshi Dutt 1

1Rutgers University Piscataway United States

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10:30 AM - WW1.04
Secondary Structure Transition and Critical Stress during the Assembly of Spider Silk Fibers

Tristan Giesa 1 Carole Celia Perry 2 Markus Buehler 1

1MIT Cambridge United States2Nottingham Trent University Nottingham United Kingdom

Show Abstract

10:45 AM - WW1.05
Chain and Fibrous Network Formation in Magnetorheological Suspensions

Colin Reynolds 1 David Robinson 1 Valeriy Titarenko 2 Michael Juniper 1 Mark Wilson 1 Dirk Aarts 1 William Sampson 2 Roel Dullens 1

1University of Oxford Oxford United Kingdom2University of Manchester Manchester United Kingdom

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11:00 AM - WW1
Break

11:30 AM - *WW1.06
Molecular Simulation Analysis of Nanoparticle-Biomolecule Interactions: Challenges and Developments

Qiang Cui 1

1UW-Madison Madison United States

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12:00 PM - WW1.07
Exploring Conformational Changes of Nucleic Acids upon Binding to Histone-Mimic Nanoparticles Using All-Atom Simulation

Jessica Nash 1 Abhishek Singh 1 Nan K. Li 1 Yaroslava Yingling 1

1North Carolina State University Chapel Hill United States

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12:15 PM - WW1.08
Atomistic Modeling of Biologically Active Nanoparticles and Nanomedicines

Petr Kral 1

1University of Illinois at Chicago Chicago United States

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12:30 PM - WW1.09
Pathway for Insertion of Amphiphilic Nanoparticles into Lipid Bilayers from Atomistic Molecular Dynamics Simulations

Reid Van Lehn 1 Alfredo Alexander-Katz 2

1California Institute of Technology Pasadena United States2Massachusetts Institute of Technology Cambridge United States

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12:45 PM - WW1.10
Conformational Behavior of Peptide Binding to Amorphous Calcium Phosphate Nanoparticle

Weilong Zhao 1 Chen Ling 1 Ziqiu Wang 1 Zhijun Xu 1 Nita Sahai 1 2 3

1University of Akron Akron United States2University of Akron Akron United States3University of Akron Akron United States

Show Abstract

2015-12-01   Show All Abstracts

Symposium Organizers

Meenakshi Dutt, Rutgers, The State University of New Jersey
Hendrik Heinz, University of Colorado-Boulder
Tiffany Walsh, Deakin University
Yaroslava Yingling, North Carolina State University

Symposium Support

Air Force Office of Scientific Research
Army Research Office
National Science Foundation
WW4: Polymeric Materials II
Session Chairs
Tiffany Walsh
Hendrik Heinz
Tuesday PM, December 01, 2015
Sheraton, 2nd Floor, Back Bay C

2:30 AM - *WW4.01
New Tools for Predicting Soft Matter Behaviour: From Mobility to Miscibility

Jane Lipson 1

1Dartmouth College Hanover United States

Show Abstract

3:00 AM - WW4.02
Using Self-Consistent Field Theory with X-Ray Scattering for the Optimal Design of Block Copolymer Directed Self-Assembly Templates

Adam Floyd Hannon 1 Daniel F Sunday 1 Donald Windover 1 Christopher D. Liman 1 Gurdaman Khaira 2 Juan de Pablo 2 R. Joseph Kline 1

1National Institute of Standards and Technology Gaithersburg United States2University of Chicago Chicago United States

Show Abstract

3:15 AM - WW4.03
Polymer-Based Transparency-Switching Materials: Optical and Kinetic Aspects

Harry Apostoleris 1 Marco Stefancich 2 Monica Cozzolino 3 Carlo Maragliano 1 Maria Vittoria Diamanti 3 Alfredo Alexander-Katz 4 Matteo Chiesa 1

1Masdar Inst of Samp;T Abu Dhabi United Arab Emirates2National Research Council Parma Italy3Milan Polytechnic Milan Italy4Massachusetts Institute of Technology Cambridge United States

Show Abstract

3:30 AM - WW4.04
Pattern Recognition, Quantification, and Analysis Using Shapelets for Nanoscale Self-Assembly Imaging

Robert Suderman 2 Daniel Lizotte 1 Nasser Mohieddin Abukhdeir 3

1University of Western Ontario London Canada2University of Waterloo Waterloo Canada3University of Waterloo Waterloo Canada

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3:45 AM - WW4.05
Nucleation and Growth of Cavities in Gels

Robert Foldes 1 Maria-Carme Calderer 1

1Univ of Minnesota Twin Cities Minneapolis United States

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4:00 AM - WW4
Break

4:30 AM - *WW4.06
Pennies of Innovation Billions of Times

Bruce P Murch 1 Russell Devane 1 David Eike 1 Gabriela Schaefer 1 Sumanth Jamadagni 1 Peter Koenig 1

1Procter and Gamble Cincinnati United States

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5:00 AM - WW4.07
Phase Separation of Polymer Mixtures upon Solvent Evaporation

Charley Schaefer 2 1 Jasper Michels 3 Paul van der Schoot 1

1University of Technology Eindhoven Eindhoven Netherlands2Dutch Polymer Institute Eindhoven Netherlands3Max Planck Institute for Polymer Research Mainz Germany

Show Abstract

5:15 AM - WW4.08
Charge Percolation Networks in Molecular and Polymeric Aggregates

Nicholas Jackson 1 Lin Chen 1 Mark A. Ratner 1

1Northwestern University Evanston United States

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5:30 AM - WW4.09
Multiply Intergrown Network Phases: New Morphologies in Soft Materials with Potential as Photonic Materials

Gerd Elmar Schroeder-Turk 1 Michael G Fischer 2 Stephen Hyde 3 Liliana de Campo 4 Jacob Judas Kain Kirkensgaard 5 Matthias Saba 6

1Murdoch University Murdoch Australia2Adolphe Merkle Institute Fribourg Switzerland3The Australian National University Canberra Australia4Australian Nuclear Science and Technology Organisation Sydney Australia5Copenhagen University Copenhagen Denmark6Imperial College London United Kingdom

Show Abstract

5:45 AM - WW4.10
Effective Elasticity of Composite Fibrous Networks

Ehsan Ban 1 Catalin R. Picu 1

1Rensselaer Polytechnic Inst Troy United States

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WW3: Polymeric Materials I
Session Chairs
Tiffany Walsh
Hendrik Heinz
Tuesday AM, December 01, 2015
Sheraton, 2nd Floor, Back Bay C

9:30 AM - *WW3.01
Designing Block Copolymers for Nanolithography Using Mesoscale Modeling

Valeriy V. Ginzburg 1

1Dow Chemical Co Midland United States

Show Abstract

10:00 AM - WW3.02
Perpendicular Orientation of High Interaction Parameter Block Copolymer Microdomains in Trenches

Wubin Bai 1 Karim Gadelrab 1 Alfredo Alexander-Katz 1 Caroline A Ross 1

1MIT Cambridge United States

Show Abstract

10:15 AM - WW3.03
Conformation of Block Copolymer Self-Assembly to a Modulated Substrate

Karim Raafat Gadelrab 1 Sam Nicaise 2 Amir Tavakkoli 2 Caroline A Ross 1 Karl Berggren 2 Alfredo Alexander-Katz 1

1MIT Cambridge United States2MIT Cambridge United States

Show Abstract

10:30 AM - WW3.04
Coarse-Grained Models for Self-Assembly of ABA Triblock Copolymers Using Dissipative Particle Dynamics

Fikret Aydin 1 Xiaolei Chu 1 Geetartha Uppaladadium 1 David Devore 3 Ritu Goyal 2 Zheng Zhang 2 Joachim Kohn 2 Meenakshi Dutt 1

1Rutgers Univ Piscataway United States2New Jersey Center for Biomaterials Piscatway United States3Rutgers Univ Piscataway United States

Show Abstract

10:45 AM - WW3.05
Facile Modeling and Simulation of the Self-Assembly of Polyelectrolyte Block Copolymers

Nan K. Li 1 William H. Fuss 1 Yaroslava G. Yingling 1

1North Carolina State Univ Raleigh United States

Show Abstract

11:00 AM - WW3
Break

11:30 AM - *WW3.06
Molecular Modeling of Bioconjugated PEG-Based Hydrogels Using a Three-Level Multiscale Approach

Robert A. Latour 1 Xianfeng Li 1

1Clemson Univ Clemson United States

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12:00 PM - WW3.07
Using Dissipative Particle Dynamics to Examine Micromechanics of Hydrogels near Volume Phase Transition

Svetoslav Nikolov 1 Alberto Fernandez-Nieves 1 Alexander Alexeev 1

1Georgia Institute of Technology Atlanta United States

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12:15 PM - WW3.08
The Bijel: Do the Experiments Agree with the Model?

Paul Clegg 1

1Univ of Edinburgh Edinburgh United Kingdom

Show Abstract

12:30 PM - WW3.09
Mesoscale Simulations of Bijel and Trijel Systems Confined to Thin Films

Joseph Carmack 1

1Univ of Arkansas Fayetteville United States

Show Abstract

2015-12-02   Show All Abstracts

Symposium Organizers

Meenakshi Dutt, Rutgers, The State University of New Jersey
Hendrik Heinz, University of Colorado-Boulder
Tiffany Walsh, Deakin University
Yaroslava Yingling, North Carolina State University

Symposium Support

Air Force Office of Scientific Research
Army Research Office
National Science Foundation
WW6: Self-Assembly and Nucleation
Session Chairs
Yaroslava Yingling
Hendrik Heinz
Wednesday PM, December 02, 2015
Sheraton, 2nd Floor, Back Bay C

2:30 AM - *WW6.01
Modeling the Self-Assembly of DNA- and Peptide-Based Plasmonic Material

George C. Schatz 1

1Northwestern Univ Evanston United States

Show Abstract

3:00 AM - WW6.02
DNAmdash;Aptamer Interactions with Aqueous Gold Interfaces: Influences of Temperature, Interfacial Shape, and Presence of Citrate on Structure Disorder.

Kurt Laurence Murray Drew 1 Zak Elliot Hughes 1 J. Pablo Palafox-Hernandez 1 Tiffany Walsh 1

1Deakin University Geelong Australia

Show Abstract

3:15 AM - WW6.03
Designing a Soft Self-Propelling Bi-Layered Micro-Swimmer

Alexander Alexeev 1 Svetoslav Nikolov 1 Peter Yeh 1

1Georgia Institute of Technology Atlanta United States

Show Abstract

3:30 AM - WW6
Break

4:30 AM - *WW6.04
A Structural Approach to Modeling Disordered Solids

Efthimios Kaxiras 1 Ekin Dogus Cubuk 1 Andrea Liu 2 Samuel Schoenholz 2

1Harvard Univ Cambridge United States2UPenn Philadelphia United States

Show Abstract

5:00 AM - WW6.05
Meso-Scale Modeling of Self-Assembly of Metal Nanoparticles into Janus-Like Membranes

Sanket A Deshmukh 1 Ganesh Kamath 2 Xiao-Min Lin 1 Subramanian Sankaranarayanan 1

1Argonne National Laboratory Lemont United States2University of Missouri Columbia United States

Show Abstract

5:15 AM - WW6.06
Self-Assembly and Mechanical Response of Patchy Rods

Navid Kazem 1 Carmel Majidi 2 Craig Maloney 3

1Carnegie Mellon University Pittsburgh United States2Carnegie Mellon University Pittsburgh United States3Northeastern University Boston United States

Show Abstract

5:30 AM - WW6.07
Computation of Equilibrium Morphology and Structure in Small Colloidal Crystals

Ray Mohan Sehgal 1 Dimitrios Maroudas 1

1Univ of Massachusetts-Amherst Amherst United States

Show Abstract

WW7: Poster Session: Frontiers in Computational Soft Matter
Session Chairs
Wednesday PM, December 02, 2015
Hynes, Level 1, Hall B

9:00 AM - WW7.02
A Molecular Dynamics Study on the Influence of Hydration on Copolyeseter Adhesion with Soda-Lime Glass

Ben Hanson 1 John Hofmann 2 Melissa Pasquinelli 1

1North Carolina State University Raleigh United States2Eastman Chemical Kingsport United States

Show Abstract

9:00 AM - WW7.03
Multiscale Modeling of Small Molecule Organic Solar Cells

Cheng-Kuang Lee 1 Chun-Wei Pao 1

1Academia Sinica Taipei Taiwan

Show Abstract

9:00 AM - WW7.04
The Effect of Charge Ratio and Salt Concentration on Self-Assembling Polyelectrolyte Triblock Hydrogel Morphology

William Hayden Fuss 1 Nan K. Li 1 Yaroslava Yingling 1

1North Carolina State University Raleigh United States

Show Abstract

9:00 AM - WW7.05
Computational Nano-Origami of Materials

Sanket A Deshmukh 1 Subramanian Sankaranarayanan 1

1Argonne National Laboratory Lemont United States

Show Abstract

9:00 AM - WW7.06
Identifying and Rationalizing the Morphological, and Structural of beta;-Ag2MoO4 Microcrystals, and the Formation Process of Ag Nanoparticles on Their Surfaces: Combining Experimental Data and First-Principles Calculations

Luis Presley Serejo dos Santos 1 Maria Tereza Fabbro 1 Carla Saliby 1 Juan Andres 1 Elson Longo 1

1Federal University of Satilde;o Carlos Satilde;o Carlos Brazil

Show Abstract

9:00 AM - WW7.07
Finite Element Analysis of Thermal and Electrical Effects in Flexible Sensors with Barrier Coatings

Nandhinee Radha Shanmugam 1 Anjan Panneer Selvam 1 Rajeshwari Taruvai Kalyana Kumar 1 Vikramshankar Kamakoti 1 Shalini Prasad 1

1Univ of Texas-Dallas Richardson United States

Show Abstract

9:00 AM - WW7.09
The Role of Halide Ions in the Anisotropic Growth of Gold Nanoparticles: A Microscopic, Atomistic Perspective

Santosh Kumar Meena 1 Andreas Henkel 2 Sirin Celiksoy 2 Carsten Soennichsen 2 Marialore Sulpizi 1

1Johannes Gutenberg University Mainz Germany2Johannes Gutenberg University Mainz Germany

Show Abstract

9:00 AM - WW7.10
Monolayer-Induced Calcium Phosphate Nucleation: A Molecular Dynamics Study

Zhijun Xu 1 Weilong Zhao 1 Ziqiu Wang 1 Nita Sahai 1

1The University of Akron Akron United States

Show Abstract

9:00 AM - WW7.11
Self-Assembly of Polyelectrolyte Block Copolymers Using Dissipative Particle Dynamics with an Implicit Solvent Ionic Strength Method

Nan K. Li 1 William H. Fuss 1 Yaroslava G. Yingling 1

1North Carolina State Univ Raleigh United States

Show Abstract

9:00 AM - WW7.12
Properties of Plasticized PVC Accessed via All-Atom Molecular Dynamics Simulations

Albert Kwansa 1 Yaroslava Yingling 1

1North Carolina State University Raleigh United States

Show Abstract

9:00 AM - WW7.13
C60 Fullerene and Derivatives in Aromatic Solvents: Solvation Shell Structure and Predicting Solubility

James S. Peerless 1 Hunt Bowers 1 Albert Kwansa 1 Yaroslava Yingling 1

1North Carolina State University Raleigh United States

Show Abstract

9:00 AM - WW7.14
Interactions between Polyethylene Glycol and Proteins Investigated Using Molecular Dynamics Simulations

Jiajia Zhou 1 Friederike Schmid 1 Giovanni Settanni 1 2

1Johannes Gutenberg University Mainz Mainz Germany2Max-Planck Graduate Center with the University of Mainz Mainz Germany

Show Abstract

9:00 AM - WW7.15
Electronic Interfacial Features in P-Type Dye Sensitized Photocathode: Ab Initio Design of Anchoring Groups that Maximize Dye-Electrode Hole Injection Driving Force

Michele Pavone 1 Giovanna D'Angelo 1 Ana Belen Munoz-Garcia 1

1Universitagrave; di Napoli Federico II Naples Italy

Show Abstract

9:00 AM - WW7.16
Dissipative Particle Dynamics Simulations of Polymer-Based Composites with Slip-Springs Approach

Kosuke Ohata 1 Kenta Chaki 1 Hiroya Nitta 1 Taku Ozawa 1

1JSOL Corporation Chuo-ku Japan

Show Abstract

9:00 AM - WW7.17
A Computational Study toward the Rational Design of Protein Imprinting

Jianfa Chen 1 Desinghu Balamurugan 1 Zhen Yang 1 Dong Cai 1

1University of Houston Houston United States

Show Abstract

9:00 AM - WW7.18
Enabling Large-Scale Tensile Simulations of Semi-Crystalline Polymers with Coarse-Grained Potentials

Brian Koo 1 Sriraj Srinivasan 1

1Arkema King of Prussia United States

Show Abstract

9:00 AM - WW7.19
Investigating the Formation of Polymer-Coated Drug Nanoparticles through Molecular Dynamics Simulations

Ioanna-Danai Styliari 1 Andrew Theophilus 2 Cameron Alexander 1 Martin Garnett 1 Charles Laughton 1

1University of Nottingham Nottingham United Kingdom2GlaxoSmithKline Stevenage United Kingdom

Show Abstract

9:00 AM - WW7.20
Modeling Photochemistry of Chromophore-Linked Photoactive Energetic Materials

Tammie Nelson 1 Josiah Bjorgaard 1 Sergei A. Tretiak 1 Jason Scharff 1

1Los Alamos National Laboratory Los Alamos United States

Show Abstract

9:00 AM - WW7.23
Temperature Dependent Structural, Elastic, and Polar Properties of Ferroelectric Polyvinylidene Fluoride (PVDF) and Trifluoroethylene (TrFE) Copolymers

Fu-Chang Sun 2 Avinash M Dongare 1 Alexandru D Asandei 3 S. Pamir Alpay 1 2 Serge Nakhmanson 1 2

1University of Connecticut Storrs United States2University of Connecticut Storrs United States3University of Connecticut Storrs United States

Show Abstract

9:00 AM - WW7.24
Charge Injection Barriers at Metal/Polyethylene Interfaces

Lihua Chen 1 Huan Doan Tran 1 Rampi Ramprasad 1

1University of Connecticut Storrs United States

Show Abstract

9:00 AM - WW7.25
A Simulation Study on POSS-Oligomer Bilayer: Microscopic Thermal and Mechanical Properties

Yoshihiro Hori 1 Kenji Yoshimoto 1 Masahiro Ohshima 1 Gregory Rutledge 2

1Kyoto University Kyoto Japan2Massachusetts Institute of Technology Cambridge United States

Show Abstract

9:00 AM - WW7.26
Multi-Scale Molecular Modeling of PEGylated Rosette Nanotubes

Arthur Are Gonzales 1 Yiwen Fan 1 Hicham Fenniri 1

1Northeastern University Boston United States

Show Abstract

9:00 AM - WW7.27
Conformational Analysis, Absorption Spectra and Local Reactivity on Calmagite Simulating a pH Variation: A DFT Study

Zuriel Natanael Cisneros-Garcia 1 Jaime Gustavo Rodriguez-Zavala 1

1Centro Univ. de Los Lagos Universidad de Guadalajara Lagos de Moreno Mexico

Show Abstract

9:00 AM - WW7.28
Peptide Adsorption at the Aqueous Titania Interface: Deciphering the Complex Interplay between Sequence, Conformations, and Binding

Anas M Sultan 1 Louise B Wright 2 Zak E Hughes 1 J. Pablo Palafox-Hernandez 1 Tiffany Walsh 1

1Deakin University Geelong Australia2University of Warwick Coventry United Kingdom

Show Abstract

9:00 AM - WW7.29
Thermo-Electro-Mechanical Deformation of Dielectric Elastomer: Experiment and Theoretical Model

Bo Li 1 Lei Liu 1 Hualing Chen 1

1Xi'an Jiaotong University Xi`An China

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WW5: Surfaces and Interfaces
Session Chairs
Yaroslava Yingling
Hendrik Heinz
Wednesday AM, December 02, 2015
Sheraton, 2nd Floor, Back Bay C

9:30 AM - *WW5.01
The Role of Organic Molecules in Controlling Crystal Nucleation and Growth

John H Harding 1 Colin L. Freeman 1 Shaun A Hall 1 Riccardo Innocenti-Malini 1 David Sparks 1

1Univ of Sheffield Sheffield United Kingdom

Show Abstract

10:00 AM - WW5.02
Elucidating the Effect of Surface Functionalization on the Mechanical Properties of Carbon Fiber Reinforced Polymer via Molecular Simulations

Baris Demir 1 Tiffany Walsh 1

1Deakin University Geelong Australia

Show Abstract

10:15 AM - WW5.03
Molecular Dynamics Simulations of the Initial Adsorption Stages of Fibrinogen on Mica and Graphite Surfaces

Stephan Koehler 1 Friederike Schmid 1 Giovanni Settanni 1 2

1Johannes Gutenberg University Mainz Mainz Germany2Max-Planck Graduate Center with the University of Mainz Mainz Germany

Show Abstract

10:30 AM - WW5.04
Biomolecules at Gold-Water Interfaces: The Role of the Metal Polarization

Isidro Lorenzo Geada 1 Hadi Ramezani-Dakhel 2 Hendrik Heinz 2 Marialore Sulpizi 1

1Johannes Gutenberg University Mainz Germany2Akron University Akron United States

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10:45 AM - WW5.05
A Double-Chain Mesoscale Hydrogen-Bonded Polymer of a DNA Nucleoside on Au(111)

Jun Wang 1 Peter Bonnesen 1 Eduardo Rangel 2 Emmanuel Vallejo 2 Ariadna Sanchez-Castillo 2 Henderson J. Cleaves 3 Arthur P. Baddorf 1 Bobby Sumpter 1 Minghu Pan 1 Petro Maksymovych 1 Miguel Fuentes-Cabrera 1

1Oak Ridge National Laboratory, Center for Nanophase Materials Sciences Oak Ridge United States2Escuela Superior de Apan, Universidad Autoacute;noma del Estado de Hidalgo Apan Hidalgo Mexico3Institute for Advanced Study Princeton United States

Show Abstract

11:00 AM - WW5
Break

11:30 AM - *WW5.06
Graphene in Mixed Solvents: A Path towards Graphene Films, Emulsions and Foams

Andrey V. Dobrynin 1

1University of Akron Akron United States

Show Abstract

12:00 PM - WW5.07
Understanding Physisorption of DNA on Graphene-Based Surfaces: A Molecular Dynamics Simulations Study

Hoshin Kim 1 Sabrina Huang 2 Yaroslava Yingling 1

1North Carolina State University Raleigh United States2Purdue University West Lafayette United States

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12:15 PM - WW5.08
The Structure of Citrate Overlayers at the Aqueous Au(111) Interface and Their Influence on the Adsorption of a Gold Binding Peptide

Zak Elliot Hughes 1 Louise B Wright 2 Tiffany Walsh 1

1Deakin University Geelong Australia2University of Warwick Coventry United Kingdom

Show Abstract

12:30 PM - WW5.09
A Molecular Dynamics Study of the Environment-Dependent Conformational Switching in Hydroxyapatite-Binding Sequences

Andrew Church 1 Zak Elliot Hughes 1 Tiffany Walsh 1

1Deakin University Highton Australia

Show Abstract

12:45 PM - WW5.10
Modeling the Role of Interfacial Energetics in Tuning Complex Emulsion Morphologies

Vishnu Sresht 1 Lauren Zarzar 1 Ellen Sletten 1 Julia Kalow 1 Timothy M. Swager 1 Daniel Blankschtein 1

1Massachusetts Institute of Technology Cambridge United States

Show Abstract

2015-12-03   Show All Abstracts

Symposium Organizers

Meenakshi Dutt, Rutgers, The State University of New Jersey
Hendrik Heinz, University of Colorado-Boulder
Tiffany Walsh, Deakin University
Yaroslava Yingling, North Carolina State University

Symposium Support

Air Force Office of Scientific Research
Army Research Office
National Science Foundation
WW8: Frontiers of Soft Matter
Session Chairs
Meenakshi Dutt
Tiffany Walsh
Thursday AM, December 03, 2015
Sheraton, 2nd Floor, Back Bay C

9:30 AM - *WW8.01
From Charged Metal Nanoparticles to Electronics without Semiconductors

Bartosz A Grzybowski 2 1

1Polish Academy of Sciences Warszawa Poland2UNIST, Ulsan Ulsan Korea (the Republic of)

Show Abstract

10:00 AM - WW8.02
Topological Studies of Amorphous Solids Using Jammed Colloidal Particles and Fluorescent Imaging Techniques

Eru Kyeyune-Nyombi 1 2 Malcolm Lane Gilchrist 1 Hernan Makse 2

1City College of New York New York United States2City College of New York New York United States

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10:15 AM - WW8.03
Impurities on Solidification Process of Monolayer Colloids by Advection Accumulation Method

Yayoi Terada 1

1Tohoku Univ Sendai Japan

Show Abstract

10:30 AM - WW8.04
Effect of Shape on the Self-Assembly of Faceted Patchy Nanoplates with Irregular Shape into Tiling Patterns

Jaime Andres Millan 1 Daniel Ortiz 1 Greg van Anders 1 Sharon C. Glotzer 1

1University of Michigan Ann Arbor United States

Show Abstract

10:45 AM - WW8.05
Star Polymer Microdroplets with Tunable Hollowness and Porosity - Massive DPD Simulations Inspired by Experiement and Application

Ryan Marson 1 2 Zhanpeng Zhang 3 Peter X. Ma 4 1 3 Sharon Glotzer 5 1 2

1Univ of Michigan Ann Arbor United States2University of Michigan Ann Arbor United States3University of Michigan Ann Arbor United States4University of Michigan Ann Arbor United States5University of Michigan Ann Arbor United States

Show Abstract

11:00 AM - WW8
Break

11:30 AM - *WW8.06
Towards the Virtual Laboratory: Modelling Clay-Polymer Nanocomposites Using a Multiscale Approach

James Suter 1 Derek Groen 1 Peter V. Coveney 1

1University College London London United Kingdom

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12:00 PM - WW8.07
Mapping the Interactions of Dual-Specificity Peptide Nanosensors for HIV-1 Protease Using a Cascaded All-Atom Simulation Approach

Andrew Christofferson 1 Karla-Luise Herpoldt 2 Adam Makarucha 1 Arbel Artzy-Schnirman 2 Roberto de la Rica 2 Molly Stevens 2 Irene Yarovsky 1

1RMIT University Melbourne Australia2Imperial College London London United Kingdom

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12:15 PM - WW8.08
Genetic Algorithm Applied to Protein Folding Problem on 3D HP Lattice Model

Fracisco Alirio Moura 1 Douglas S. Galvao 1

1Universidade Estadual de Campinas Campinas Brazil

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12:30 PM - WW8.09
Transforming Structural Materials by Understanding Nanoconfinement

Sinan Keten 1

1Northwestern University Evanston United States

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12:45 PM - WW8.10
Statistics of Backfolding and Hairpin Formation of DNA Confined in Nanochannels

Abhiram Muralidhar 1 Michael Quevillon 1 Douglas Tree 2 Kevin Dorfman 1

1University of Minnesota Minneapolis United States2University of California Santa Barbara Santa Barbara United States

Show Abstract