CNBT:Presentations

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Multiscale Simulation Approach for Designing New Polymeric Materials In Fuel Cell Technology <br>
Multiscale Simulation Approach for Designing New Polymeric Materials In Fuel Cell Technology <br>
<b>Seung Soon Jang</b><br>
<b>Seung Soon Jang</b><br>
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<i>Computational Materials Design via Multiscale Modeling (Symposium W)</i>.<br>
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<i>Computational Materials Design via Multiscale Modeling (Symposium W)</i> <br>
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<li>November 11 - 12, 2008 1st New Technology Symposium  2008 of Society of Plastic Engineers in Philadelphia, Pennsylvania, USA <br>
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Multi-scale Simulation Approach for Designing New Polymeric Materials in Fuel Cell Technology<br>
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<b>Seung Soon Jang </b><br>
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<i>Energy</i> <br>
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<br>
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<li>November 11 - 12, 2008 1st New Technology Symposium  2008 of Society of Plastic Engineers in Philadelphia, Pennsylvania, USA<p>
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<li>September 16 - 18, 2008 8th Automotive Composites Conference & Exhibition 2008 of Society of Plastic Engineers in Troy, Michigan, USA <br>
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Multi-scale Simulation Approach for Designing New Polymeric Materials in Fuel Cell Technology<br>
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NanoStructured Polymer Membrane for Fuel Cell Application: Computational NanoTechnology Approach<br>
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<b>Seung Soon Jang </b><br>
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<b>Seung Soon Jang </b> and William A. Goddard, III<br>
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<i>Energy</i><p>
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<i>Nanocomposites</i> <font color="red"> the Best Paper Award of ACCE 2008</font color> <br>
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<br>
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                    <li>September 16 - 18, 2008 8th Automotive Composites Conference & Exhibition 2008 of Society of Plastic Engineers in Troy, Michigan, USA<p>
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NanoStructured Polymer Membrane for Fuel Cell Application: Computational NanoTechnology Approach<br>
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<b>Seung Soon Jang </b> and William A. Goddard, III<br>
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<i>Nanocomposites</i><br>
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<font color="red"> the Best Paper Award of ACCE 2008</font color><p>
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<li>May 4 - 8, 2008 ANTEC 2008 of Society of Plastic Engineers in Milwaukee, Wisconsin, USA<p>
<li>May 4 - 8, 2008 ANTEC 2008 of Society of Plastic Engineers in Milwaukee, Wisconsin, USA<p>

Revision as of 17:16, 10 March 2009

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Invited Talks

  1. December 1 - December 5 2008 The Fall Meeting of Materials Research Society in Boston, MA, USA
    Multiscale Simulation Approach for Designing New Polymeric Materials In Fuel Cell Technology
    Seung Soon Jang
    Computational Materials Design via Multiscale Modeling (Symposium W)

  2. November 11 - 12, 2008 1st New Technology Symposium 2008 of Society of Plastic Engineers in Philadelphia, Pennsylvania, USA
    Multi-scale Simulation Approach for Designing New Polymeric Materials in Fuel Cell Technology
    Seung Soon Jang
    Energy

  3. September 16 - 18, 2008 8th Automotive Composites Conference & Exhibition 2008 of Society of Plastic Engineers in Troy, Michigan, USA
    NanoStructured Polymer Membrane for Fuel Cell Application: Computational NanoTechnology Approach
    Seung Soon Jang and William A. Goddard, III
    Nanocomposites the Best Paper Award of ACCE 2008

  4. May 4 - 8, 2008 ANTEC 2008 of Society of Plastic Engineers in Milwaukee, Wisconsin, USA

    Expedition to Find Treasures in the Field of Nanotechnology: Computational Nanotechnology
    Seung Soon Jang
    New Technology Forums
    Selected as One of the Best of ANTEC 2008<p>

  5. September 10, 2007 School of Polymer, Textile and Fiber Engineering, Georgia Institute of Technology in Atlanta, USA<p> Molecular Dynamics Study on Hydrated Water-Soluble Dendrimer-grafted Copolymer Membrane for PEMFC
    Seung Soon Jang
    Department Seminar<p>
  6. November 9, 2005 Chemical Engineering Department, University of Waterloo in Ontario, Canada<p> Computational Nanotechnology: Another Direction to Find Treasures Hidden in the Field of Nanotechnology
    Seung Soon Jang
    Department Seminar<p>
  7. March 24, 2005 Nano Science Technology Center, University of Central Florida in Orlando, Florida<p> Computational Nanotechnology
    Seung Soon Jang
    Center Seminar<p> </ol> </DL></DL>
    <p>Peer Reviewed Presentations<p>
    1. November 16-November 21 2008 The 100th American Institute of Chemical Engineers in Philadelphia, PA, USA<p> Mechanical Properties of Poly (HEMA-co-VP) Hydrogel: Molecular Dynamics Simulation Approach,
      Seung Soon Jang, Seung Geol Lee, Giuseppe Brunello, David Bucknall and Hannah Lee
      Structure and Properties of Polymers III (379f ORAL)<p>
    2. August 19-August 23, 2007 The 234th National Meeting of American Chemical Society in Boston, MA, USA<p> Hydrated Water-Soluble-Grafted Polymer Membranes for Application to Polymer Electrolyte Membrane Fuel Cells,
      Seung Soon Jang and William A. Goddard III
      Division of Computers in Chemistry<p>
    3. May 6-May 10 2007 The 211th Electrochemical Society in Chicago, IL, USA<p> Acid Functionalized Zeolite (AFZ) for Proton Exchange Membrane Fuel Cell,
      Seung Soon Jang and William A. Goddard III
      Multiscale Simulations of Electrochemical Systems (G4 953 ORAL)<p>
    4. March 25-March 29 2007 The 233rd American Chemical Society in Chicago, IL, USA<p> Molecular Dynamics Simulation of Langmuir Monolayer at Air/Water Interface and Langmuir-Blodgett Film on H-Si (111) Surface of Amphiphilic Bistable [2]Rotaxane,
      Seung Soon Jang, Hyungjun Kim and William A. Goddard III
      Division of Colloid and Surface Chemistry (COLL 95 ORAL)<p>
    5. November 12-November 17 2006 American Institute of Chemical Engineers in San Francisco, CA, USA<p> Molecular Dynamics Study on Hydrated Water-Soluble Dendrimer-Grafted Polymer Membrane for PEMFC,
      Seung Soon Jang and William A. Goddard III
      Molecular Modeling of Fuel Cells and Electrochemical Systems II (553h ORAL)<p>
    6. November 12-November 17 2006 American Institute of Chemical Engineers in San Francisco, CA, USA<p> Multi-Paradigm Simulations toward the Design of Improved Fuel Cell Catalysts and Membranes,
      William A. Goddard III, Boris Merinov, Seung Soon Jang, Weiqiao Deng, Adri C. T. van Duin, Gerald Voecks
      Molecular Modeling of Fuel Cells and Electrochemical Systems II (553f ORAL)<p>
    7. September 10-September 14 2006 American Institute of Chemical Engineers in Cincinnati, OH, USA<p> Li-Pillared carbon materials and metal organic frameworks as hydrogen storage media,
      William A. Goddard III, Weiqiao Deng, Sang Soo Han, Seung Soon Jang
      Division of Fuel Chemistry (FUEL 97 ORAL)<p>
    8. October 30-November 4 2005 American Institute of Chemical Engineers in Cincinnati, OH, USA<p> Multi-Paradigm Multi-Scale Simulations for Fuel Cell Catalysts and Membranes (510a ORAL),
      Molecular Simulation and Computation of Fuel Cells and Electrochemistry I, Computational Molecular Science and Engineering Forum
      William A. Goddard III, Boris Merinov, Seung Soon Jang, Adri von Duin, YunHee Jang, Weiqiao Deng, Timo Jacob
      <p>
    9. March 21-March 25 2005 American Physical Society Meeting in Los Angeles, USA<p> Signal and thermal noise in [2]catenenane molecular electronic switches (P35.00002 ORAL),
      Yong-Hoon Kim, Seung Soon Jang,Yun Hee Jang, and William A. Goddard III
      <p>
    10. March 13-March17 2005 The 229th American Chemical Society National Meeting in San Diego, USA<p> Molecular Dynamics Simulation of Amphiphilic Bistable [2]Rotaxane Langmuir Monolayer at Air/Water Interface,
      Seung Soon Jang, Yun Hee Jang, Yong-Hoon Kim, and William A. Goddard III
      Division of Colloid and Surface Chemistry (COLL 4 ORAL)<p>
    11. August 22-August 26 2004 The 228th American Chemical Society National Meeting in Philadelphia, USA<p> Water-soluble Frechet-type Dendrimer-Linear PTFE Copolymer for Polymer Electrolyte Membrane Fuel Cell: Molecular Dynamics Approach,
      Seung Soon Jang, Shiang-Tai Lin, Tahir Cagin, Valeria Molinero and William A. Goddard III
      Division of Polymeric Materials: Science and Engineering (PMSE 425 ORAL)<p>
    12. March 28-April 1 2004 The 227th American Chemical Society National Meeting in Anaheim, USA<p> Self-assembled monolayer of rotaxane on Au (111) surface: Molecular dynamics study,
      Seung Soon Jang, Shiang-Tai Lin, Yun Hee Jang, Yong-Hoon Kim, and William A. Goddard III
      Division of Colloid and Surface Chemistry (COLL 72 ORAL)<p>
    13. March 28-April 1 2004 The 227th American Chemical Society National Meeting in Anaheim, USA<p> Stoddart-Heath-type [2]rotaxane/[2]catenane molecular switch: Theoretical study,
      Yun Hee Jang, Yong-Hoon Kim, Seung Soon Jang, Sungu Hwang, and William A. Goddard III
      Division of Colloid and Surface Chemistry (COLL 293)<p>
    14. March 22-26 2004 American Physical Society Meeting in Montreal, Canada<p> First-principles study of the switching mechanism of [2]catenane molecular switches (J33.007 ORAL),
      Yong-Hoon Kim, Yunhee Jang, Seung Soon Jang, William A. Goddard III<p>
    15. December 1-5 2003 MRS Fall Meeting in Boston, MA, USA<p> Effect of monomeric sequence of Nafion on its nanostructure and transport properties (CC2.10),
      Seung Soon Jang, Valeria Molinero, Tahir Cagin, and William A. Goddard III
      Microbattery and Micropower Systems [Symposium CC]<p>
    16. December 1-5 2003 MRS Fall Meeting in Boston, MA, USA<p> Atomistic Studies on the thermodynamic stability of hydrogen bond driven selfassembly of supramolecules (O7.5),
      Shiang-Tai Lin, Seung Soon Jang, Tahir Cagin, and William A. Goddard III
      Nanostructured Organic Materials [Symposium O]<p>
    17. The 226th American Chemical Society National Meeting in New York, USA<p> Effect of Monomeric Sequence on Nanophase-segregated Structure and Water Transport in Nafion 117,
      Seung Soon Jang, Valeria Molinero, Tahir Cagin, and William A. Goddard III
      Division of Fuel Chemistry (FUEL ORAL)<p>
    18. June 22 2003 International Conference on Solid State Ionics SSI-14 in Monterey, California, USA<p> Molecular level study of Nanostructure and Transport in Hydrated Nafion (X O F 04 ORAL),
      Seung Soon Jang, Valeria Molinero, Tahir Cagin, Boris V. Merinov and William A. Goddard III<p>
    19. March 3-7 2003 American Physical Society Meeting in Austin, USA<p> Molecular Modeling of Nanostructure and Water Transport in Nafion (C1.125),
      Seung Soon Jang, Valeria Molinero, Tahir Cagin, and William A. Goddard III<p>
    20. March 3-7 2003 American Physical Society Meeting in Austin, USA<p> Electron Transport Through Self-Assembled Monolayers (H17.007),
      Yong-Hoon Kim, Jamil Tahir-Kheli, Seung Soon Jang, Weiqiao Deng, Peter Schultz, William A. Goddard III<p>
    21. The 219th American Chemical Society National Meeting in San Francisco, USA<p> Effect of Chain Architecture of Graft Copolymer on the Structure of Adsorbed Layer: A Monte Carlo Simulation Approach
      Kwang Hee Kim, Seung Soon Jang, and Won Ho Jo
      Polym. Prepr. (Am. Chem. Soc., Div. Polym. Chem.) 41, 299 (2000).<p>
    22. The 217th American Chemical Society National Meeting in Anaheim, USA<p> Off-lattice Monte Carlo Simulation of Hyperbranched Polymers: 1. Polycondensation of AB2 Type Monomers
      Yong Uk Lee, Seung Soon Jang, Jae Shick Yang and Won Ho Jo
      PMSE Prepr. (Am. Chem. Soc., Div. Polym. Mater.: Sci. and Eng.) 80, 163 (1999).<p>
    23. The 215th American Chemical Society National Meeting in Dallas, USA<p> Yielding and Plastic Behavior of Amorphous Atactic Poly(oxypropylene): An Atomistic Modeling Approach
      Seung Soon Jang and Won Ho Jo,
      PMSE Prepr. (Am. Chem. Soc., Div. Polym. Mater.: Sci. and Eng.) 78, 228 (1998).<p>
    24. The 214th American Chemical Society National Meeting in Las Vegas, USA<p> Mechanical Behavior of Amorphous Atactic Poly(propylene oxide): An Atomistic Modeling Approach
      Seung Soon Jang and Won Ho Jo,
      Polym. Prepr. (Am. Chem. Soc., Div. Polym. Chem.) 38, 181 (1997) ORAL.<p>

    1. Oct. 1999 The Polymer Society of Korea Meeting<p> Prediction of Rheological Properties of Colloidal System using Brownian Dynamics Simulation
      Gyu Sang Lee, Jae Kwang Shin, Seung Soon Jang and Seung Min Ryu,
      Polymer Abstracts 24, No. 2, 69 (1999).<p>
    2. Oct. 1999 The Polymer Society of Korea Meeting<p> Crystallization-induced Sequential Reordering in Poly(trimethylene terephthalate)/Polycarbonate Blends
      Woo Jin Bae, Seung Soon Jang and Won Ho Jo,
      Polymer Abstracts 24, No. 2, 137 (1999).<p>
    3. Oct. 1999 The Polymer Society of Korea Meeting<p> Dynamic Behavior of Molecules with Oxyethylene Moieties in Amorphous Phase of Cellulose
      Seung Soon Jang, Seung Min Ryu, Gyu Sang Lee, and Jae Kwang Shin,
      Polymer Abstracts 24, No. 2, 271 (1999).<p>
    4. Apr. 1999 The Polymer Society of Korea Meeting<p> The Relationship between Absolute Molecular Weight and Molecular Weight Measured by Size Exclusion Chromatography (SEC) for AB2 Type Hyperbranched Polycondensates
      Kyoung Ho No, Yong Uk Lee, Seung Soon Jang and Won Ho Jo,
      Polymer Abstracts 24, No. 1, 74 (1999).<p>
    5. Apr. 1999 The Polymer Society of Korea Meeting<p> Off-lattice Monte Carlo Simulation of Hyperbranched Polymers: 3. Effects of Core Moieties on the Microstructures of Hyperbranched Polymers
      Yong Uk Lee, Seung Soon Jang and Won Ho Jo,
      Polymer Abstracts 24, No. 1, 74 (1999).<p>
    6. Apr. 1999 The Polymer Society of Korea Meeting<p> Miscibility and Transesterification in Bisphenol A Polycarbonate/Poly(trimethylene terephthalate) Blends
      Woo Jin Bae, Seung Soon Jang and Won Ho Jo,
      Polymer Abstracts 24, No. 1, 205 (1999).<p>
    7. Oct. 1998 The Polymer Society of Korea Meeting<p> Order-Disorder Transition of Cyclic Diblock Copolymer System: A Monte Carlo Simulation Approach
      Seung Soon Jang and Won Ho Jo,
      Polymer Abstracts 23, No. 2, 164 (1998).<p>
    8. Oct. 1998 The Polymer Society of Korea Meeting<p> Yield Behavior of Isotactic Polypropylene in Uniaxial Extension: An Atomistic Modeling Approach
      Sung Hoon Yang, Seung Soon Jang and Won Ho Jo,
      Polymer Abstracts 23, No. 2, 144 (1998).<p>
    9. Oct. 1998 The Polymer Society of Korea Meeting<p> Molecular Simulation of Mechanical Properties of Hydrogenated Syndiotactic Poly(styrene-co-isoprene) in Amorphous State
      Cheoul Ghyou Kang, Seung Soon Jang and Won Ho Jo,
      Polymer Abstracts 23, No. 2, 144 (1998).<p>
    10. Oct. 1998 The Polymer Society of Korea Meeting<p> A Monte Carlo Simulation of Hyperbranched Polymers: 2. Microstructure of Hyperbranched Polymers
      Yong Uk Lee, Seung Soon Jang and Won Ho Jo,
      Polymer Abstracts 23, No. 2, 145 (1998).<p>
    11. Oct. 1998 The Polymer Society of Korea Meeting<p> A Monte Carlo Simulation of Polymer Adsorption at Surfaces: The Effect of Chain Architecture of Graft Copolymer and Attractive Wall Potential
      Kwang Hee Kim, Seung Soon Jang and Won Ho Jo,
      Polymer Abstracts 23, No. 2, 196 (1998).<p>
    12. Apr. 1998 The Polymer Society of Korea Meeting<p> Mechanical Behavior of Crystalline/Amorphous Poly(trimethylene terephthalate): An Atomistic Modeling Approach
      Seung Soon Jang and Won Ho Jo,
      Polymer Abstracts 23, No. 1, 155 (1998).<p>
    13. Apr. 1998 The Polymer Society of Korea Meeting<p> Computer Simulation of Hyperbranched Polymers: 1. Polymerization Kinetics of AB2 Type Monomers
      Yong Uk Lee, Seung Soon Jang and Won Ho Jo,
      Polymer Abstracts 23, No. 1, 15 (1998).<p>
    14. Apr. 1998 The Polymer Society of Korea Meeting<p> Molecular Simulation of Mechanical Properties of Amorphous Syndiotactic Poly(styrene-co-acrylonitrile)
      Cheoul Ghyou Kang, Seung Soon Jang and Won Ho Jo,
      Polymer Abstracts 23, No. 1, 154 (1998).<p>
    15. Apr. 1998 The Polymer Society of Korea Meeting<p> Monte Carlo Simulation of Polymer Solutions at Surfaces: The Effect of Chain Architecture of Graft Copolymer
      Kwang Hee Kim, Seung Soon Jang and Won Ho Jo,
      Polymer Abstracts 23, No. 1, 155 (1998).<p>
    16. Oct. 1997 The Polymer Society of Korea Meeting<p> Analysis of Yielding and Plastic Behavior of Amorphous Atactic Poly(propylene oxide) by an Atomistic Modeling Approach
      Seung Soon Jang and Won Ho Jo,
      Polymer Abstracts 22, No. 2, 114 (1997).<p>
    17. Oct. 1997 The Polymer Society of Korea Meeting<p> The Effects of Ester Interchange Reaction on the Phase Behavior in Immiscible Polyester Blends: Monte Carlo Simulation Approach
      Jong Geun Kim, Seung Soon Jang and Won Ho Jo,
      Polymer Abstracts 22, No. 2, 183 (1997).<p>
    18. Apr. 1997 The Polymer Society of Korea Meeting<p> Atomistic Modeling of Mechanical Properties of Amorphous Atactic Poly(propylene oxide)
      Seung Soon Jang and Won Ho Jo,
      Polymer Abstracts 22, No. 1, 66 (1997).<p>
    19. Nov. 1996 The Korean Fiber Society Meeting<p> Molecular Modeling of Mechanical Properties of Amorphous Atactic Poly(propylene oxide)
      Seung Soon Jang and Won Ho Jo<p>
    20. Nov. 1995 The Korean Fiber Society Meeting<p> Interpretation of Polycondensation System
      Seung Soon Jang and Wan Shik Ha<p>
    21. Nov. 1994 The Korean Fiber Society Meeting<p> Interpretation of Ester Interchange Reaction in Polyester Blends Using Computer Simulation
      Seung Soon Jang and Wan Shik Ha<p>
    22. Nov. 1994 The Korean Fiber Society Meeting<p> Ester Interchange Reaction in PET/PEI Blend
      Yong Koon Chun, Seung Soon Jang, Wan Shik Ha and Do Mook Rhee<p>
    23. Nov. 1992 The Korean Fiber Society Meeting<p> Ester Interchange Reaction of Diphenyl Terephthalate in Condensation Polymerization of Bis(2-hydroxyethyl terephthalate)
      Seung Soon Jang, Jun Shik Cho, Wan Shik Ha and Chung Yup Kim<p>
    24. Probing Air-Liquid Interfacial Chemistry of Phospholipid Monolyers: Interactions and Reactivity of Surfactant Protein B in a Lipid Monolayer
      Hugh I. Kim, Hyungjun Kim, Young Shik Shin, Evan Neidholdt, Luther W. Beegle, Seung Soon Jang, James R. Heath, William A. Goddard III, Isik Kanik, and J. L. Beauchamp
      Nature Chemistry submitted.

    25. Distribution and Diffusion of Water in Epoxy Molding Compound: Molecular Dynamics Simulation Approach
      Seung Geol Lee, Seung Soon Jang, Jongman Kim and Gene Kim
      IEEE Transactions on Advanced Packaging submitted.

    26. A Molecular Dynamics Study of Hydrated Sulfonated Poly (Ether Ether Ketone) for Application to Polymer Electrolyte Membrane Fuel Cells: Effect of Water Content
      Giuseppe Brunello, Seung Geol Lee and Seung Soon Jang and Yue Qi
      Journal of Renewable and Sustainable Energy submitted.

    27. Negative Differential Resistance of Self-Assembled Monolayer of Oligo (Phenylene Ethynylene) on Au Surface: Electric Field Induced Conformational Change Mechanism
      Hyungjun Kim, William A. Goddard III, Seung Soon Jang and Richard A. Kiehl
      Nature in preparation.

    28. The Free Energy Barrier of Molecualr Motions in Bistable [2]Rotaxane Molecualr Electronics Devices
      Hyungjun Kim, William A. Goddard III, Seung Soon Jang, William R. Dichtel, James R. Heath, and J. Fraser Stoddart
      J. Phys. Chem. A accepted.

    29. Effect of Monomeric Sequence on Mechanical Properties of P(VP-co-HEMA) Hydrogels at Low Hydration: Molecular Dynamics Simulation Approach
      Seung Geol Lee, Giuseppe F. Brunello, Seung Soon Jang, J. Hannah Lee, David G. Bucknall
      J. Phys. Chem. B submitted.

    30. Sodium Diffusion through Aluminum Doped Zeolite BEA System: Effect of Water Solvation
      Hyungjun Kim, Wei-Qiao Deng, William A. Goddard III, Seung Soon Jang, Mark E. Davis, Yushan Yan
      J. Phys. Chem. C 113, 819 (2009).

    31. Charge Transport through Polyene Self-Assembled Monolayers from Multiscale Computer Simulations
      Christopher George, Hidehiro Yoshida, William A. Goddard III, Seung Soon Jang and Yong-Hoon Kim
      J. Phys. Chem. B 112, 14888 (2008).

    32. ReaxFF Reactive Force Field for Solid Oxide Fuel Cell Systems with Application to Oxygen Ion Transport in Yttria-Stabilized Zirconia
      Adri C. T. van Duin, Boris V. Merinov, Seung Soon Jang and William A. Goddard III
      J. Phys. Chem. A 112, 3133 (2008).

    33. Mechanical and Transport Properties of Poly (Ethylene Oxide) - Poly (Acrylic Acid) Double Network Hydrogel: Molecular Dynamic Simulation Approach [Additions and Corrections]
      Seung Soon Jang, William A. Goddard III, Yashar Kalani, David Myung, and Curtis W. Frank
      J. Phys. Chem. B 111, 14440 (2007).

    34. Mechanical and Transport Properties of Poly (Ethylene Oxide) - Poly (Acrylic Acid) Double Network Hydrogel: Molecular Dynamic Simulation Approach
      Seung Soon Jang, William A. Goddard III and Yashar Kalani
      J. Phys. Chem. B 111, 1729 (2007).

    35. Structures and Transport Properties of Hydrated Water-Soluble Dendrimer-Grafted Polymer Membranes for Application to Polymer Electrolyte Membrane Fuel Cells: Classical Molecular Dynamics Approach
      Seung Soon Jang and William A. Goddard III
      J. Phys. Chem. C 111, 2759 (2007).

    36. Multi-paradigm multi-scale simulations for fuel cell catalysts and membranes
      William A. Goddard III, Boris Merinov, Adri van Duin, Timo Jacob, Mario Blanco, Valeria Molinero, Seung Soon Jang, Yun Hee Jang
      Molecular Simulation 32, 251 (2006).

    37. Possible Performance Improvement in [2]Catenane Molecular electronic Switches
      Yong-Hoon Kim, Seung Soon Jang, and William A. Goddard III
      Appl. Phys. Lett. 88, 163112 (2006).

    38. Structures and Properties of Newton Black Films: Molecular Dynamics Simulation Approach
      Seung Soon Jang and William A. Goddard III
      J. Phys. Chem. B 110, 7992 (2006).

    39. Molecular Dynamics Simulation of Amphiphilic Bistable [2]Rotaxane Langmuir Monolayer at Air/Water Interface
      Seung Soon Jang, Yun Hee Jang, Yong-Hoon Kim, William A. Goddard III, Jang Wook Choi, James R. Heath, A. H. Flood, B. W. Laursen, J. F. Stoddart
      J. Am. Chem. Soc. 127, 14804 (2005).

    40. Conformations and charge transport characteristics of biphenyldithiol self-assembled-monolayer molecular electronic devices: A multiscale computational study
      Yong-Hoon Kim, Seung Soon Jang, and William A. Goddard III,
      J. Chem. Phys. 122, 244703 (2005).
      [selected for the July 11, 2005 issue of Virtual Journal of Nanoscale Science & Technology]

    41. Nanophase-segregation and water dynamics in the dendrion diblock copolymer formed from polyaryl ethereal dendrimer and linear PTFE
      Seung Soon Jang, Shiang-Tai Lin, Tahir Cagin, Valeria Molinero and William A. Goddard III
      J. Phys. Chem. B 109, 10154 (2005).

    42. First-principles study of the switching mechanism of [2]catenane molecular electronic devices
      Yong-Hoon Kim, Seung Soon Jang, Yun Hee Jang, and William A. Goddard III
      Phys. Rev. Lett. 94, 156801 (2005).
      [selected for the May 2, 2005 issue of Virtual Journal of Nanoscale Science & Technology]

    43. Molecular Dynamics Simulation Study on a Monolayer of Half [2]Rotaxane Self-Assembled on Au(111)
      Yun Hee Jang, Seung Soon Jang and William A. Goddard III
      J. Am. Chem. Soc. 127, 4959 (2005).

    44. Structures and Properties of Self-Assembled Monolayers of Bistable [2]Rotaxanes on Au (111) Surfaces from Molecular Dynamics Simulations Validated with Experiment
      Seung Soon Jang, Yun Hee Jang, Yong-Hoon Kim, William A. Goddard III, A. H. Flood, B. W. Laursen, H.-R. Tseng, J. F. Stoddart, Jan O. Jeppesen, Jang Wook Choi, David W. Steuerman, Erica DeIonno, James R. Heath
      J. Am. Chem. Soc. 127, 1563 (2005).

    45. Molecular dynamics study of surfactant-mediated decane/water interface: Effect of molecular architecture of alkyl benzene sulfonate
      Seung Soon Jang, Shiang-Tai Lin, Prabal K. Maiti, Mario Blanco, William A. Goddard III, Patrick Shuler and Yongchun Tang,
      J. Phys. Chem. B 108, 12130 (2004).

    46. Density Functional Theory Studies of the [2] Rotaxane Component of the Stoddart-Heath Molecular Switch
      Yun Hee Jang, Sungu Hwang, Yong-Hoon Kim, Seung Soon Jang, and William A. Goddard III,
      J. Am. Chem. Soc. 126,12636 (2004).

    47. Thermodynamic stability of Zimmerman self-assembled Supramolecules from atomistic molecular dynamics simulations
      Shiang-Tai Lin, Seung Soon Jang, Tahir Cagin and William A. Goddard III,
      J. Phys. Chem. B 108, 10041 (2004).

    48. Nanophase-Segregation and Transport in Nafion 117 from Molecular Dynamics Simulations: Effect of Monomeric Sequence
      Seung Soon Jang, Valeria Molinero, Tahir Cagin, and William A. Goddard III,
      J. Phys. Chem. B 108, 3149 (2004).

    49. Effect of monomeric sequence on nanostructure and water dynamics in Nafion 117
      Seung Soon Jang, Valeria Molinero, Tahir Cagin, and William A. Goddard III,
      Solid State Ionics 175,805 (2004).

    50. Effect of Cyclic Chain Architecture on Properties of Dilute Solutions of Polyethylene from Molecular Dynamics Simulations
      Seung Soon Jang, Tahir Cagin and William A. Goddard III,
      J. Chem. Phys. 119, 1843 (2003).

    51. The Source of Helicity in Perfluorinated n-Alkane
      Seung Soon Jang, Mario Blanco, William A. Goddard III, Gregg Caldwell and Richard B. Ross
      Macromolecules 36, 5331 (2003).

    52. Off-lattice Monte Carlo Simulation of Hyperbranched Polymers.1. Polycondensation of AB2 type monomer
      Yong Uk Lee, Seung Soon Jang and Won Ho Jo,
      Macromol. Theory Simul. 9, 188 (2000).

    53. Homogenization process caused by competition between phase separation and ester-interchange reactions in immiscible polyester blends:A Monte Carlo simulation
      Ji Ho Youk, Seung Soon Jang and Won Ho Jo,
      J. Polym. Sci.: Part B: Polym. Phys. 38, 590 (2000).

    54. Phase Transformation of Poly(trimethylene terphthalate) in Crystalline State: An Atomistic Modeling Approach
      Seung Soon Jang and Won Ho Jo,
      Fibers and Polymers 1,18 (2000).

    55. Monte Carlo Simulation of the Order-Disorder Transition of Symmetric Cyclic Diblock Copolymer System
      Won Ho Jo and Seung Soon Jang,
      J. Chem. Phys. 111, 1712 (1999).

    56. The Effects of Ester Interchange Reactions on the Phase Behavior of an Immiscible Polyester Blend: Monte Carlo Simulation
      Won Ho Jo, Jong Geun Kim, Seung Soon Jang, and Ji Ho Youk,
      Macromolecules 32, 1679 (1999).

    57. Analysis of the Mechanical Behavior of Poly(trimethylene terephthalate) in an Amorphous State under Uniaxial Extension/Compression Condition through Atomistic Modeling
      Seung Soon Jang and Won Ho Jo,
      J. Chem. Phys. 110, 7524 (1999).

    58. Yielding and Plasic Behavior of Amorphous Atactic Poly(oxypropylene) under Uniaxial Compression: An Atomistic Modeling Approach
      Seung Soon Jang and Won Ho Jo,
      Polymer 40, 915 (1999).

    59. Analysis of the Mechanical Behavior of Amorphous Atactic Poly(oxypropylene) by Atomistic Modeling
      Seung Soon Jang and Won Ho Jo,
      Macromol. Theory Simul. 8, 1 (1999).

    60. A Monte Carlo Simulation of Ester Interchange Reaction in Miscible Polyester Blends
      Ji Ho Youk, Seung Soon Jang, Chong Rae park, and Won Ho Jo,
      Polymer (Korea) 22, 651 (1998).

    61. Monte Carlo Simulation of Copolymerization by Ester Interchange reaction in Miscible Polyester Blends
      Seung Soon Jang, Wan Shik Ha, Won Ho Jo, Ji Ho Youk, Jun Ho Kim, and Chong Rae Park,
      J. Polym. Sci.: Part B: Polym. Phys. 36, 1637 (1998).

    62. Preparation of Poly(ethylene terephthalate-co-isophthalate) by Ester Interchange reaction in the PET/ PEI Belnd System
      Wan Shik Ha, Yong Kun Chun, Seung Soon Jang, Do Mook Rhee, And Chong Rae Park,
      J. Polym. Sci.: Part B: Polym. Phys. 35, 309 (1997).

    63. Effect of Diphenyl Terephthalate on the Polycondensation Reaction of Bis(2-hydroxyethyl) Terephthalate
      Seung Soon Jang, Wan Shik Ha, Jun Shik Cho, and Chung Yup Kim,
      J. Korean Fiber Soc. 32, 260 (1995).

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