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Publications

1. 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.
   
   

2. 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.
   
   
3. 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.
   
   
4. 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.
   
   
5. 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 accepted.
   
   
6. Adhesion of a Single-walled Carbon Nanotube on Hydrogen-terminated Silicon (111) Surface: Molecular Mechanics Simulation Approach
   Ji Il Choi and Seung Soon Jang
   Journal of Computational and Theoretical Nanoscience accepted.
   
   
7. 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 113, 2136 (2009).
   
   
8. 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).
   
   
9. 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).
   
   
10. 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).
    
    
11. 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).
    
    
12. 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).
    
    
13. 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).
    
    
14. 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).
    
    
15. 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).
    
    
16. 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).
    
    
17. 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).
    
    
18. 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]
    
    
19. 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).
    
    
20. 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]
    
    
21. 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).
    
    
22. 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).
    
    
23. 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).
    
    
24. 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).
    
    
25. 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).
    
    
26. 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).
    
    
27. 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).
    
    
28. 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).
    
    
29. 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).
    
    
30. 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).
    
    
31. 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).
    
    
32. 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).
    
    
33. 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).
    
    
34. 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).
    
    
35. 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).
    
    
36. 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).
    
    
37. 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).
    
    
38. 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).
    
    
39. 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).
    
    
40. 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).
    
    
41. 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).