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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> | ||
<i>Computational Materials Design via Multiscale Modeling (Symposium W)</i> | <i>Computational Materials Design via Multiscale Modeling (Symposium W)</i> <br> | ||
<br> | <br> | ||
<li>November 11 - 12, 2008 1st New Technology Symposium 2008 of Society of Plastic Engineers in Philadelphia, Pennsylvania, USA <br> | |||
Multi-scale Simulation Approach for Designing New Polymeric Materials in Fuel Cell Technology<br> | |||
<b>Seung Soon Jang </b><br> | |||
<i>Energy</i> <br> | |||
<br> | |||
<li>September 16 - 18, 2008 8th Automotive Composites Conference & Exhibition 2008 of Society of Plastic Engineers in Troy, Michigan, USA <br> | |||
NanoStructured Polymer Membrane for Fuel Cell Application: Computational NanoTechnology Approach<br> | |||
<b>Seung Soon Jang </b> and William A. Goddard, III<br> | |||
<i>Nanocomposites</i> <font color="red"> the Best Paper Award of ACCE 2008</font color> <br> | |||
<br> | |||
<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 14:16, 10 March 2009
Invited Talks
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)
- 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
- 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
- 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
- September 10, 2007 School of Polymer, Textile and Fiber Engineering, Georgia Institute of Technology in Atlanta, USA
Molecular Dynamics Study on Hydrated Water-Soluble Dendrimer-grafted Copolymer Membrane for PEMFC
Seung Soon Jang
Department Seminar
- November 9, 2005 Chemical Engineering Department, University of Waterloo in Ontario, Canada
Computational Nanotechnology: Another Direction to Find Treasures Hidden in the Field of Nanotechnology
Department Seminar
Seung Soon Jang
- March 24, 2005 Nano Science Technology Center, University of Central Florida in Orlando, Florida
Computational Nanotechnology
Seung Soon Jang
Center Seminar
Peer Reviewed Presentations
- November 16-November 21 2008 The 100th American Institute of Chemical Engineers in Philadelphia, PA, USA
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)
- August 19-August 23, 2007 The 234th National Meeting of American Chemical Society in Boston, MA, USA
Hydrated Water-Soluble-Grafted Polymer Membranes for Application to Polymer Electrolyte Membrane Fuel Cells,
Division of Computers in Chemistry
Seung Soon Jang and William A. Goddard III
- May 6-May 10 2007 The 211th Electrochemical Society in Chicago, IL, USA
Acid Functionalized Zeolite (AFZ) for Proton Exchange Membrane Fuel Cell,
Multiscale Simulations of Electrochemical Systems (G4 953 ORAL)
Seung Soon Jang and William A. Goddard III
- March 25-March 29 2007 The 233rd American Chemical Society in Chicago, IL, USA
Molecular Dynamics Simulation of Langmuir Monolayer at Air/Water Interface and Langmuir-Blodgett Film on H-Si (111) Surface of Amphiphilic Bistable [2]Rotaxane,
Division of Colloid and Surface Chemistry (COLL 95 ORAL)
Seung Soon Jang, Hyungjun Kim and William A. Goddard III
- November 12-November 17 2006 American Institute of Chemical Engineers in San Francisco, CA, USA
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)
- November 12-November 17 2006 American Institute of Chemical Engineers in San Francisco, CA, USA
Multi-Paradigm Simulations toward the Design of Improved Fuel Cell Catalysts and Membranes,
Molecular Modeling of Fuel Cells and Electrochemical Systems II (553f ORAL)
William A. Goddard III, Boris Merinov, Seung Soon Jang, Weiqiao Deng, Adri C. T. van Duin, Gerald Voecks
- September 10-September 14 2006 American Institute of Chemical Engineers in Cincinnati, OH, USA
Li-Pillared carbon materials and metal organic frameworks as hydrogen storage media,
Division of Fuel Chemistry (FUEL 97 ORAL)
William A. Goddard III, Weiqiao Deng, Sang Soo Han, Seung Soon Jang
- October 30-November 4 2005 American Institute of Chemical Engineers in Cincinnati, OH, USA
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
- March 21-March 25 2005 American Physical Society Meeting in Los Angeles, USA
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
- March 13-March17 2005 The 229th American Chemical Society National Meeting in San Diego, USA
Molecular Dynamics Simulation of Amphiphilic Bistable [2]Rotaxane Langmuir Monolayer at Air/Water Interface,
Division of Colloid and Surface Chemistry (COLL 4 ORAL)
Seung Soon Jang, Yun Hee Jang, Yong-Hoon Kim, and William A. Goddard III
- August 22-August 26 2004 The 228th American Chemical Society National Meeting in Philadelphia, USA
Water-soluble Frechet-type Dendrimer-Linear PTFE Copolymer for Polymer Electrolyte Membrane Fuel Cell: Molecular Dynamics Approach,
Division of Polymeric Materials: Science and Engineering (PMSE 425 ORAL)
Seung Soon Jang, Shiang-Tai Lin, Tahir Cagin, Valeria Molinero and William A. Goddard III
- March 28-April 1 2004 The 227th American Chemical Society National Meeting in Anaheim, USA
Self-assembled monolayer of rotaxane on Au (111) surface: Molecular dynamics study,
Division of Colloid and Surface Chemistry (COLL 72 ORAL)
Seung Soon Jang, Shiang-Tai Lin, Yun Hee Jang, Yong-Hoon Kim, and William A. Goddard III
- March 28-April 1 2004 The 227th American Chemical Society National Meeting in Anaheim, USA
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)
- March 22-26 2004 American Physical Society Meeting in Montreal, Canada
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
- December 1-5 2003 MRS Fall Meeting in Boston, MA, USA
Effect of monomeric sequence of Nafion on its nanostructure and transport properties (CC2.10),
Microbattery and Micropower Systems [Symposium CC]
Seung Soon Jang, Valeria Molinero, Tahir Cagin, and William A. Goddard III
- December 1-5 2003 MRS Fall Meeting in Boston, MA, USA
Atomistic Studies on the thermodynamic stability of hydrogen bond driven selfassembly of supramolecules (O7.5),
Nanostructured Organic Materials [Symposium O]
Shiang-Tai Lin, Seung Soon Jang, Tahir Cagin, and William A. Goddard III
- The 226th American Chemical Society National Meeting in New York, USA
Effect of Monomeric Sequence on Nanophase-segregated Structure and Water Transport in Nafion 117,
Division of Fuel Chemistry (FUEL ORAL)
Seung Soon Jang, Valeria Molinero, Tahir Cagin, and William A. Goddard III
- June 22 2003 International Conference on Solid State Ionics SSI-14 in Monterey, California, USA
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
- March 3-7 2003 American Physical Society Meeting in Austin, USA
Molecular Modeling of Nanostructure and Water Transport in Nafion (C1.125),
Seung Soon Jang, Valeria Molinero, Tahir Cagin, and William A. Goddard III
- March 3-7 2003 American Physical Society Meeting in Austin, USA
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
- The 219th American Chemical Society National Meeting in San Francisco, USA
Effect of Chain Architecture of Graft Copolymer on the Structure of Adsorbed Layer: A Monte Carlo Simulation Approach
Polym. Prepr. (Am. Chem. Soc., Div. Polym. Chem.) 41, 299 (2000).
Kwang Hee Kim, Seung Soon Jang, and Won Ho Jo
- The 217th American Chemical Society National Meeting in Anaheim, USA
Off-lattice Monte Carlo Simulation of Hyperbranched Polymers: 1. Polycondensation of AB2 Type Monomers
Mater.: Sci. and Eng.) 80, 163 (1999).
Yong Uk Lee, Seung Soon Jang, Jae Shick Yang and Won Ho Jo
PMSE Prepr. (Am. Chem. Soc., Div. Polym.
- The 215th American Chemical Society National Meeting in Dallas, USA
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).
- The 214th American Chemical Society National Meeting in Las Vegas, USA
Mechanical Behavior of Amorphous Atactic Poly(propylene oxide): An Atomistic Modeling Approach
Chem.) 38, 181 (1997) ORAL.
Seung Soon Jang and Won Ho Jo,
Polym. Prepr. (Am. Chem. Soc., Div. Polym.
- Oct. 1999 The Polymer Society of Korea Meeting
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).
- Oct. 1999 The Polymer Society of Korea Meeting
Crystallization-induced Sequential Reordering in Poly(trimethylene terephthalate)/Polycarbonate Blends
Polymer Abstracts 24, No. 2, 137 (1999).
Woo Jin Bae, Seung Soon Jang and Won Ho Jo,
- Oct. 1999 The Polymer Society of Korea Meeting
Dynamic Behavior of Molecules with Oxyethylene Moieties in Amorphous Phase of Cellulose
Polymer Abstracts 24, No. 2, 271 (1999).
Seung Soon Jang, Seung Min Ryu, Gyu Sang Lee, and Jae Kwang Shin,
- Apr. 1999 The Polymer Society of Korea Meeting
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).
- Apr. 1999 The Polymer Society of Korea Meeting
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).
- Apr. 1999 The Polymer Society of Korea Meeting
Miscibility and Transesterification in Bisphenol A Polycarbonate/Poly(trimethylene terephthalate) Blends
Polymer Abstracts 24, No. 1, 205 (1999).
Woo Jin Bae, Seung Soon Jang and Won Ho Jo,
- Oct. 1998 The Polymer Society of Korea Meeting
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).
- Oct. 1998 The Polymer Society of Korea Meeting
Yield Behavior of Isotactic Polypropylene in Uniaxial Extension: An Atomistic Modeling Approach
23, No. 2, 144 (1998).
Sung Hoon Yang, Seung Soon Jang and Won Ho Jo,
Polymer Abstracts
- Oct. 1998 The Polymer Society of Korea Meeting
Molecular Simulation of Mechanical Properties of Hydrogenated Syndiotactic Poly(styrene-co-isoprene) in Amorphous State
23, No. 2, 144 (1998).
Cheoul Ghyou Kang, Seung Soon Jang and Won Ho Jo,
Polymer Abstracts
- Oct. 1998 The Polymer Society of Korea Meeting
A Monte Carlo Simulation of Hyperbranched Polymers: 2. Microstructure of Hyperbranched Polymers
23, No. 2, 145 (1998).
Yong Uk Lee, Seung Soon Jang and Won Ho Jo,
Polymer Abstracts
- Oct. 1998 The Polymer Society of Korea Meeting
A Monte Carlo Simulation of Polymer Adsorption at Surfaces: The Effect of Chain Architecture of Graft Copolymer and Attractive Wall Potential
23, No. 2, 196 (1998).
Kwang Hee Kim, Seung Soon Jang and Won Ho Jo,
Polymer Abstracts
- Apr. 1998 The Polymer Society of Korea Meeting
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).
- Apr. 1998 The Polymer Society of Korea Meeting
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).
- Apr. 1998 The Polymer Society of Korea Meeting
Molecular Simulation of Mechanical Properties of Amorphous Syndiotactic Poly(styrene-co-acrylonitrile)
23, No. 1, 154 (1998).
Cheoul Ghyou Kang, Seung Soon Jang and Won Ho Jo,
Polymer Abstracts
- Apr. 1998 The Polymer Society of Korea Meeting
Monte Carlo Simulation of Polymer Solutions at Surfaces: The Effect of Chain Architecture of Graft Copolymer
23, No. 1, 155 (1998).
Kwang Hee Kim, Seung Soon Jang and Won Ho Jo,
Polymer Abstracts
- Oct. 1997 The Polymer Society of Korea Meeting
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).
- Oct. 1997 The Polymer Society of Korea Meeting
The Effects of Ester Interchange Reaction on the Phase Behavior in Immiscible Polyester Blends: Monte Carlo Simulation Approach
22, No. 2, 183 (1997).
Jong Geun Kim, Seung Soon Jang and Won Ho Jo,
Polymer Abstracts
- Apr. 1997 The Polymer Society of Korea Meeting
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).
- Nov. 1996 The Korean Fiber Society Meeting
Molecular Modeling of Mechanical Properties of Amorphous Atactic Poly(propylene oxide)
Seung Soon Jang and Won Ho Jo
- Nov. 1995 The Korean Fiber Society Meeting
Interpretation of Polycondensation System
Seung Soon Jang and Wan Shik Ha
- Nov. 1994 The Korean Fiber Society Meeting
Interpretation of Ester Interchange Reaction in Polyester Blends Using Computer Simulation
Seung Soon Jang and Wan Shik Ha
- Nov. 1994 The Korean Fiber Society Meeting
Ester Interchange Reaction in PET/PEI Blend
Yong Koon Chun, Seung Soon Jang, Wan Shik Ha and Do Mook Rhee
- Nov. 1992 The Korean Fiber Society Meeting
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
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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]
- 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).
- 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]
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
- 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).
