Books Seung Soon Jang and William A. Goddard, III (2011); "Chapter 9. Transport Properties of Membranes for Fuel Cells from Molecular Dynamics Simulations."; Advanced materials for membrane preparation; Edited by M. G. Buonomenna and G. Golemme; Bentham Science Publishers; Sharjah, U.A.E. (ISBN: 978-1-60805-308-7). Publications * The underlined is the corresponding author. Bromine Incorporation Affects Phase Transformations and Thermal Stability of Lead Halide Perovskites Diana K. LaFollette, Juanita Hidalgo, Omar Allam, Jonghee Yang, Austin Shoemaker, Ruipeng Li, Barry Lai, Benjamin Lawrie, Sergei Kalinin, Carlo A.R. Perini, Mahshid Ahmadi, Seung Soon Jang, and Juan-Pablo Correa-Baena submitted. A Density Functional Theory Approach to Multiactivity Assessment of TiO2 Photocatalysis Omar Allam, Mostafa Maghsoodi, Seung Soon Jang, and Samuel Snow submitted. Mechanically Robust and Intrinsically Stretchable Organic Solar Cells Zhenye Wang, Di Zhang, Omar Allam, Lvpeng Yang, Yerun Gao, Yang Su, Meichen Xu, Songmin Mo, Qinghe Wu, Zhi Wang, Junfeng Liu, Jiayi He, Rui Li, Xingwang Jia, Zhilin Li, Mark D. Webster, Natalie Stingelin, Josh Kacher, Seung Soon Jang, Yu Yu, Xinliang Zhang, Tobin J. Marks, Antonio Facchetti, and Ming Shao submitted. Morphological Diversity in Tetrablock Copolymer Multicompartment Micelles Connor P. Callaway, Mackenzie Mallard, Seung Min Lee, Benjamin Clark, Christopher Johnson, and Seung Soon Jang submitted. Coarse-grained molecular dynamics predicts HDL-mimetic nanostructures functionalized by paraoxonase-1 Taeyoung Kim, Jinhwan Kim, Yoshitaka Sei, Sang Eun Jee, Hyunjung Lee, Seung Soon Jang, and YongTae Kim submitted. Tuning The Morphology Of Multicompartment Micelles: A Joint Computational and Experimental Study Aaron Cohen, Connor Callaway, Kristen Dancel-Manning, Tong Wang, Seung Soon Jang, and Marcus Weck submitted. 2D Metal/Graphene and 2D Metal/Graphene/Metal Systems for Electrocatalytic Conversion of CO2 to Formic Acid Jinwon Cho, Arturo Medina, Ines Saih, Ji Il Choi, Matthew Drexler, William A. Goddard III, Faisal M. Alamgir, and Seung Soon Jang Angewandte Chemie International Edition, 63, e202320268 (2024). Catalysis Sans Catalyst Loss: The Origins of Prolonged Stability of Graphene-Metal-Graphene Sandwich Architecture for Oxygen Reduction Reactions Ali A. Abdelhafiz, Ji Il Choi, Bote Zhao, Jinwon Cho, Yong Ding, Luke Soule, Seung Soon Jang, Meilin Liu, and Faisal M. Alamgir Advanced Science, 10, 2304616 (2023). Multiscale Modeling Approach for Aldol Addition Reaction in Multicompartment Micelle-based Nano-Reactor Jinwon Cho, Marcus Weck, Sungu Hwang, and Seung Soon Jang The Journal of Physical Chemistry B, 127, 10067-10076 (2023). Preparation and Characterization of Polyhydroxyamide Composite Fibers Reinforced with Carbon Nanotubes: Experiment and Computation Collaborative Approach Min Ho Jee, Moon Jin Yeo, Seung Soon Jang, and Doo Hyun Baik Polymer Composites, 44, 8116-8124 (2023). Distribution and Transport of CO2 in Hyperbranched Poly(ethyleneimine)-loaded MCM-41: Molecular Dynamics Simulation Approach Junhe Chen, Hyun June Moon, Kyung Il Kim, Ji Il Choi, Pavithra Narayanan, Miles A. Sakwa-Novak, Christopher W. Jones, and Seung Soon Jang ACS Applied Materials & Interfaces, 15, 43678-43690 (2023). Dual-Light Emitting 3D Encryption with Printable Fluorescent-Phosphorescent Metal-Organic Frameworks Jin Woo Oh, Seokyeong Lee, Hyowon Han, Omar Allam, Ji Il Choi, Hyeokjung Lee, Wei Jiang, Jihye Jang, Gwanho Kim, Seungsoo Mun, Kyuho Lee, Yeonji Kim, Jong Woong Park, Seonju Lee, Seung Soon Jang, and Cheolmin Park Light: Science and Applications, 12, 226 (2023). Proton Transport through Interfaces in Nanophase-Separation of Hydrated Aquivion Membrane: Molecular Dynamics Simulation Approach Mohammed Bazaid, Yu Huang, William A. Goddard III, and Seung Soon Jang Colloids and Surfaces A: Physicochemical and Engineering Aspects, 676, 132187 (2023). Nonorthogonal Cascade Catalysis in Multicompartment Micelles Eman Ahmed, Jinwon Cho, Seung Soon Jang, and Marcus Weck Chemitry - A European Journal, 29, e202301231 (2023). Density Functional Theory Study on Beta-Hydrogen Elimination Reaction at a PPC Nickel Complex Yongseong Kim, Joon Hyub Kim, Seung Soon Jang, and Sungu Hwang Journal of the Korean Chemical Society, 67, 204-207 (2023). Electron-rich Ir nanostructure supported mesoporous Ta2O5 for enhanced activity and stability of oxygen evolution reaction Chaekyung Baik, Jinwon Cho, Jeong In Cha, Youngin Cho, Seung Soon Jang, and Chanho Pak Journal of Power Sources, 575, 233174 (2023). Steric Effects in Ruddlesden-Popper Blue Perovskites for High Quantum Efficiency Ilgeum Lee, Omar Allam, Andrew Proppe, Yitong Dong, Dongxin Ma, Li Na Quan, Aidan Grenville, Edward H. Sargent, Seung Soon Jang, and Dong Ha Kim Advanced Optical Materials, 11, 2201824 (2023). Thermoresponsive Conductivity of Graphene-based Fibers Muhammad G. Salim, Vaibhav Vasudevan, Ji Il Choi, Somayeh Zamani, Nicholas Schulman, Yash Joshi, Muhammad AlAlmer, Seung Soon Jang, and Yong L. Joo Small, 19, 2204981 (2023). Selective Heating Effect of Microwave Irradiation on Binary Mixture of Water and Polyethylene Oxide: Molecular Dynamics Simulation Approach Junhe Chen, Matthew J. Warner, Benjamin Sikora, Daniel Kiddle, Danielle Coverdell, Omar Adel Youssef Allam, Ji Il Choi, Paul A. Kohl, and Seung Soon Jang Physical Chemistry Chemical Physics, 25, 12522-12531 (2023). Chiral Inorganic Nanostructures from Achiral Platforms: A Universal Synthesis Route via Supramolecular Self-Assembly Minju Kim, Mohammed O. Bazaid, Hyun Jeong Lee, Seung Soon Jang, Yu Jin Jang, and Dong Ha Kim Chemistry of Materials, 35, 3073-3082 (2023). Electron Transport through Nanoconfined Ferrocene Solution: Density Functional Theory - Non-Equilibrium Green Function Approach Ji Il Choi, Christopher Johnson, Nadezda Fomina, Armin Darvish, Christoph Lang, Young Shik Shin, Han Seul Kim, and Seung Soon Jang The Journal of Physical Chemistry C, 127, 2666-2674 (2023). Unravelling Water and Salt transport in Polyamide with Nuclear Magnetic Resonance Spectroscopy Mahsa Abbaszadeh, Ji Il Choi, Yudan Chen, Johannes Leisen, Madeline Garell, Seung Soon Jang, Yan-Yan Hu, and Marta C. Hatzell ACS Materials Letters, 5, 291-298 (2023). Optimal high-throughput virtual screening pipeline for efficient selection of redox-active organic materials Hyun-Myung Woo, Omar Allam, Junhe Chen, Seung Soon Jang, and Byung-Jun Yoon iScience, 26, 105735 (2023). Graphene Nanoribbon Hybridization for Intrinsic Molecular Separation of Zeolitic Imidazolate Framework Membranes Eunji Choi, Ji Il Choi, Yong-Jae Kim, Yeong Jae Kim, Kiwon Eum, Yunkyu Choi, Ohchan Kwon, Seung Soon Jang, and Dae Woo Kim Angewandte Chemie International Edition, 61, e202214269 (2022). Catalytically Active Multicompartment Micelles Eman Ahmed, Jinwon Cho, Lulu Friedmann, Seung Soon Jang, and Marcus Weck JACS Au, 2, 2316-2326 (2022). Antioxidant Technology for Durability Enhancement in Polymer Electrolyte Membranes for Electrochemical Device Applications Taehyun Kwon, Youngjoon Lim, Jinwon Cho, Robin Lawler, Byeong Jo Min, William A. Goddard III, Seung Soon Jang, and Jin Young Kim Materials Today, 58, 135-163 (2022). Tailor-Made Charged Catechol-Based Polymeric Ligands to Build Robust Fuel Cells Containing Antioxidative Redoxable Nanoparticle Hyunhong Kim, Seung Ho Yook, Ho Young Kim, Yonghoon Choi, Yeongsu Lim, Yujin Hwang, Jeongho Kim, Kwan Young Lee, Seung Soon Jang, Jongnam Park, and Jin Young Kim Advanced Electronic Materials, 8, 2200171 (2022). Carbon Quantum Dot Modified Reduced Graphene Oxide Framework for Improved Alkali Metal Ion Storage Performance Shikai Jin, Omar Allam, Kyungbin Lee, Jeonghoon Lim, Michael J Lee, Sze Hou Loh, Seung Soon Jang, and Seung Woo Lee Small, 18, 2202898 (2022). Ce(III)-based Coordination Complex Based Efficient Radical Scavenger for Exceptional Durability Enhancement of Polymers Application in Proton Exchange Membrane Fuel Cells and Organic Photovoltaics Taehyun Kwon, Sungmin Park, Byeong Jo Min, Safira Ramadhani, Youngjoon Lim, Seung Soon Jang, Hyangsoo Jeong, Hae Jung Son, and Jin Young Kim Advanced Energy and Sustainability Research, 3, 2200011 (2022). Practicality Assessment: Temperature-governed Performance of CO2-containing Li-O2 Batteries Filipe Marques Mota, Omar Allam, Kyunghee Chae, Nur Aqlili Riana Che Mohamad, Seung Soon Jang, and Dong Ha Kim Chemical Engineering Journal, 449, 137744 (2022). Structural Transformation of Multicompartment Micelle Induced by Photo-switchable Spiropyran-Merocyanine Transition: Dissipative Particle Dynamics Simulation Approach Jinwon Cho, Ji Il Choi, and Seung Soon Jang The Journal of Physical Chemistry B, 126, 4401-4410 (2022). Covalent Organic Frameworks: Design and Applications in Electrochemical Energy Storage Devices Shikai Jin, Omar Allam, Seung Soon Jang, and Seung Woo Lee InfoMat, 4, e12277 (2022). Cooperativity in the Aldol Condensation using Bifunctional Mesoporous Silica - Poly(styrene) MCM-41 Organic/Inorganic Hybrid Catalysts Jacob W. Cleveland, Ji Il Choi, Ryoh-Suke Sekiya, Jinwon Cho, Hyun June Moon, Seung Soon Jang, and Christopher W. Jones ACS Applied Materials & Interfaces, 14, 11235-11247 (2022). Boosting activity toward oxygen reduction reaction of a mesoporous FeCuNC catalyst via heteroatom doping-induced electronic state modulation Jong Gyeong Kim, Jinwon Cho, Seung Soon Jang, Hyejin Lee, Eunsung Yuk, Byungchan Bae, Sunghoon Han, and Chanho Pak Journal of Materials Chemistry A, 10, 5361-5372 (2022). Accelerating Solvent Selection for Type II Porous Liquids Chao-Wen Chang, Isaiah Borne, Robin M. Lawler, Zhenzi Yu, Seung Soon Jang, Ryan P. Lively, and David S. Sholl Journal of the American Chemical Society, 144, 4071-4079 (2022). Porous Carbon Fibers from Gel-spun Polyacrylonitrile and Poly(methyl methacrylate)-block-Poly(acrylonitrile) Jyotsna Ramachandran, Joel M. Serrano, Tianyu Liu, Jinwon Cho, Pedro J. Arias-Monje, Mingxuan Lu., Mohammad Hamza Kirmani, John Elliott, Seung Soon Jang, Guoliang Liu, Satish Kumar Carbon, 192, 332-346 (2022). Ca2CuO3: A high temperature CO2 sorbent with rapid regeneration kinetics Ehsan Hassani, Jinwon Cho, Farshad Feyzbar-Khalkhali-Nejad, Ali Rashti, Seung Soon Jang, and Tae-Sik Oh Journal of Environmental Chemical Engineering, 10, 107334 (2022). Multi-Variate Optimization of Polymer Electrolyte Membrane Fuel Cells in Consideration of Effects of GDL Compression and Intrusion Jaeyoo Choi, Yohan Cha, Jihoon Kong, Neil Vaz, Jaeseung Lee, Sang-Bum Ma, Jin-Hyuk Kim, Seung Woo Lee, Seung Soon Jang and Hyunchul Ju Journal of the Electrochemical Society, 169, 014511 (2022). Lead-Free Halide Double Perovskites: Toward Stable and Sustainable Optoelectronic Devices Asia Bibi, Ilgeum Lee, Yoonseo Nah, Heejun Kim, Omar Allam, Li Na Quan, Jiang Tang, Aron Walsh, Seung Soon Jang, Edward H. Sargent, and Dong Ha Kim Materials Today, 49, 123-144 (2021). CO2-Selective Zeolitic Imidazolate Framework Membrane on Graphene Oxide Nanoribbons: Experimental and Theoretical Studies Eunji Choi, Sung Jun Hong, Junhe Chen, Yeong Jae Kim, Yunkyu Choi, Ohchan Kwon, Kiwon Eum, Ji Il Choi, Seung Soon Jang, Byungchan Han, Dae Woo Kim Journal of Materials Chemistry A, 9, 25595-25602 (2021). DFT-Machine Learning Approach for Accurate Prediction of pKa Robin Lawler, Yao-Hao Liu, Nessa Majaya, Omar Allam, Hyunchul Ju, Jin Young Kim, and Seung Soon Jang The Journal of Physical Chemistry A, 125, 8712-8722 (2021). Single-step Fabrication of Polymeric Composite Membrane via Centrifugal Colloidal Casting for Fuel Cell Applications Sunhee Jo, Ki Ro Yoon, Youngjoon Lim, Taehyun Kwon, Yun Sik Kang, Hyuntae Sohn, Sun Hee Choi, Hae Jung Son, Sung Hyun Kwon, Seung Geol Lee, Seung Soon Jang, So Young Lee, Hyoung-Juhn Kim, and Jin Young Kim Small-Methods, 5, 2100285 (2021). Tailored Design of Electrochemically Degradable Anthraquinone Functionality toward Organic Cathodes Chae Young Go, Seung Soon Jang, and Ki Chul Kim ACS Applied Materials and Interfaces, 13, 35729-35738 (2021). Improving water management and performance of air-cooled fuel cell system using pressurized air for aviation applications Nammin Lee, Masoomeh Ghasemi, Bonghyun Kim, Seungbeen Choe, Kisung Lim, Seung Woo Lee, Seung Soon Jang, and Hyunchul Ju Journal of The Electrochemical Society, 168, 084503 (2021). Distribution Characteristics of Phosphoric Acid and PTFE Binder on Pt/C Surfaces in High-Temperature Polymer Electrolyte Membrane Fuel Cells: Molecular Dynamics Simulation Approach Sung Hyun Kwon, So Young Lee, Hyoung-Juhn Kim, Seung Soon Jang and Seung Geol Lee International Journal of Hydrogen Energy, 46, 17295-17305 (2021). One-Pot Synthesis of Linear Triblock Terpolymers and their Aqueous Self-Assembly Eman Ahmed, C. Tyler Womble, Jinwon Cho, Kristen Dancel-Manning, William J. Rice, Seung Soon Jang, and Marcus Weck Polymer Chemistry, 12, 1967-1974 (2021). Activity-stability benefits of Pt/C fuel cell electrocatalysts prepared via remote CeO2 interfacial doping Ki Ro Yoon, Jong Min Kim, Kyung Ah Lee, Chang-Kyu Hwang, Shedrack G. Akpe, Yeo Jin Lee, Jitendra Pal Singh, Keun Hwa Chae, Seung Soon Jang, Hyung Chul Ham, and Jin Young Kim Journal of Power Sources, 496, 229798 (2021). Creation of Discrete Active Site Domains via Mesoporous Silica Poly(styrene) Composite Materials for Incompatible Acid-Base Cascade Reactions Jacob W. Cleveland, Dharam Raj Kumar, Jinwon Cho, Seung Soon Jang, and Christopher W. Jones Catalysis Science & Technology, 11, 1311-1322 (2021). Density Functional Theory Study of Oxygen Reduction on the Graphene and Platinum Surfaces of Pt-Graphene Hybrids Ji Il Choi, Han Seul Kim, Young-Jun Sohn, Sung-Dae Yim, Faisal M. Alamgir, and Seung Soon Jang ACS Applied Nano Materials, 4, 1067-1075 (2021). Distribution and Transport of CO2 in Hydrated Hyperbranched Polyethylenimine Membranes: Molecular Dynamics Simulation Approach Kyung Il Kim, Robin Lawler, Hyun June Moon, Pavithra Narayanan, Miles Sakwa-Novak, Christopher W. Jones, and Seung Soon Jang ACS Omega, 6, 3390-3398 (2021). Spectral Instability of Layered Mixed Halide Perovskites Results from Anion Phase Redistribution and Selective Hole Injection Yoonseo Nah, Omar Allam, Han Seul Kim, Ji Il Choi, In Soo Kim, Jinwoo Byun, Sang Ouk Kim, Seung Soon Jang, and Dong Ha Kim ACS Nano, 15, 1486-1496 (2021). Metal-foam-based cathode flow-field design to improve H2O retention capability of passive air cooled polymer electrolyte fuel cells Nammin Lee, Hassan Salihi, Bin Yoo, Jaeseung Lee, Seung Woo Lee, Seung Soon Jang, and Hyunchul Ju International Journal of Thermal Sciences, 161, 106702 (2021). Nanostructures of Nafion Film at Platinum/Carbon Surface in Catalyst Layer of PEMFC: Molecular Dynamics Simulation Approach Haisu Kang, Sung Hyun Kwon, Robin Lawler, Ji Hye Lee, Gisu Doo, Hee-Tak Kim, Sung-Dae Yim, Seung Soon Jang, and Seung Geol Lee The Journal of Physical Chemistry C, 124, 21386-21395 (2020). CeO2(111) Surface with Oxygen Vacancy for Radical Scavenging: A Density Functional Theory Approach Robin Lawler, Jinwon Cho, Hyung Chul Ham, Hyunchul Ju, Seung Woo Lee, Jin Young Kim, Ji Il Choi, and Seung Soon Jang The Journal of Physical Chemistry C, 124, 20950-20959 (2020). Molecular Structure - Redox Potential Relationship for Organic Electrode Materials: Density Functional Theory - Machine Learning Approach Omar Allam, Robert Kuramshin, Zlatomir Stoichev, Byung Woo Cho, Seung Woo Lee, and Seung Soon Jang Materials Today Energy, 17, 100482 (2020). Role of Anions on Electrochemical Exfoliation of Graphite into Graphene in Aqueous Acids Hoyoung Lee, Ji Il Choi, Jinho Park, Seung Soon Jang, and Seung Woo Lee Carbon, 167, 816-825 (2020). Molecular Simulation Study on Factors Affecting Carbon Dioxide Adsorption on Amorphous Silica Surfaces Ki Chul Kim and Seung Soon Jang The Journal of Physical Chemistry C, 124, 12580-12588 (2020). Parametric study of passive air-cooled polymer electrolyte membrane fuel cell stacks Nammin Lee, Jaeseung Lee, Seung Woo Lee, Seung Soon Jang and Hyunchul Ju International Journal of Heat and Mass Transfer, 156, 119886 (2020). Analyzing Oxygen Transport Resistance and Pt Particle Growth Effect in the Cathode Catalyst Layer of Polymer Electrolyte Fuel Cells Geonhui Gwak, Jaeseung Lee, Masoomeh Ghasemi, Jayoo Choi, Seung Woo Lee, Seung Soon Jang, and Hyunchul Ju International Journal of Hydrogen Energy, 45, 13414-13427 (2020). Enhanced Lithium Storage of an Organic Cathode via Bipolar Mechanism Tianyuan Liu, Ki Chul Kim, Byeongyong Lee, Shikai Jin, Michael Lee, Mochen Li, Suguru Noda, Seung Soon Jang, and Seung Woo Lee ACS Applied Energy Materials, 3, 3728-3735 (2020). Group Vibrational Mode Assignments as a Broadly Applicable Tool for Characterizing Ionomer Membrane Structure as a Function of Degree of Hydration Neili Loupe, Khaldoon Abu-Hakmeh, Shuitao Gao, Luis Gonzalez, Matthew Ingargiola, Kayla Mathio-wetz, Ryan Cruse, Jonathan Doan, Annie Schide, Isaiah Salas, Nicholas Dimakis, Seung Soon Jang, William A. Goddard III, and Eugene S. Smotkin Chemistry of Materials, 32, 1828-1843 (2020). Effect of the Side-Chain Length in Perfluorinated Sulfonic and Phosphoric Acid-Based Membranes on Nanophase Segregation and Transport: A Molecular Dynamics Simulation Approach Robin Lawler, Charles Caliendo, Hyunchul Ju, Jin Young Kim, Seung Woo Lee, and Seung Soon Jang The Journal of Physical Chemistry B, 124, 1571-1580 (2020). Innovative Cathode Flow-Field Design for Passive Air-Cooled Polymer Electrolyte Membrane (PEM) Fuel Cell Stacks Jaeseung Lee, Gundu Mohamed Hassan, Nammin Lee, Kisung Lim, Seung Woo Lee, Seung Soon Jang, Jin Young Kim, Hyunchul Ju International Journal of Hydrogen Energy, 45, 11704-11713 (2020). Electron Transport Characteristics through Aluminum Oxide (100) and (012) in Metal-Insulator-Metal Junction System: Density Functional Theory - Non-Equilibrium Green Function Approach Ji Il Choi, Han Seul Kim, Young Shik Shin, Christopher Johnson, Nadezda Fomina, Patrick Staley, Christoph Lang, and Seung Soon Jang ACS Omega, 5, 1717-1724 (2020). Toward enhanced CO2 adsorption on bimodal calcium-based materials with porous truncated architectures Soonchul Kwon, Hyuk Jae Kwon, Ji Il Choi, Hyun Chul Lee, Armistead G. Russell, Seung Geol Lee, Taeyoon Kim and Seung Soon Jang Applied Surface Science, 505, 144512 (2020). Porous Strained Pt Nanostructured Thin-Film Electrocatalysts via Dealloying for PEM Fuel Cells Chang-Kyu Hwang, Jong Min Kim, Sehoon Hwang, Joo-Hyung Kim, Chang Hyun Sung, Byung-Moo Moon, Keun Hwa Chae, Jitendra Pal Singh, Seung-Hoon Kim, Seung Soon Jang, Seung Woo Lee, Hyung Chul Ham, Seunghee Han, and Jin Young Kim Advanced Functional Interfaces, 7, 1901326 (2020). Contiguous and Atomically-Thin Pt Film with Supra-bulk Behavior Through Graphene-Imposed Epitaxy Ji Il Choi, Ali Abdelhafiz, Parker Buntin, Adam Vitale, Alex Robertson, Jamie Warner, Seung Soon Jang, Faisal M. Alamgir Advanced Functional Materials, 29, 1902274 (2019). Hot Topic: Carbon, Graphite, and Graphene in 2019 Advanced Materials Effect of Block Length and Side Chain Length Ratios on Determining Multiscompartment Micelle Structure Connor P. Callaway, Seung Min Lee, Mackenzie Mallard, Benjamin Clark, and Seung Soon Jang The Journal of Physical Chemistry B, 123, 4784-4791 (2019). Unveiled Correlations between Electron Affinity and Solvation in Redox Potential of Quinone-Based Sodium-Ion Batteries Ki Chul Kim, Tianyuan Liu, Ku Hyun Jung, Seung Woo Lee, and Seung Soon Jang Energy Storage Materials, 19, 242-250 (2019). Importance of Exsolution in Transition-Metal (Co, Rh, and Ir)-Doped LaCrO3 Perovskite Catalysts for Boosting Dry Reforming of CH4 Using CO2 for Hydrogen Production Joo Hyeng Oh, Byeong Wan Kwon, Jinwon Cho, Chan Hyun Lee, Min Kyeong Kim, Sun Hee Choi, Sung Pil Yoon, Jonghee Han, Suk Woo Nam, Jin Young Kim, Seung Soon Jang, Ki Bong Lee, and Hyung Chul Ham Industrial & Engineering Chemistry Research, 58, 6385-6393 (2019). Structural Tunability of Multicompartment Micelles as A Function of Lipophilic-Fluorophilic Block Length Ratio Connor P. Callaway, Nicholas Bond, Kayla Hendrickson, Seung Min Lee, and Seung Soon Jang The Journal of Physical Chemistry B, 122, 12164-12172 (2018). Application of DFT-based Machine Learning for Developing Molecular Electrode Materials in Li-Ion Battery Omar Allam, Byung Woo Cho, Ki Chul Kim, and Seung Soon Jang RSC Advances, 8, 39414-39420 (2018). Selected for Selected for the RSC Advances 10th Anniversary collection focusing on Machine learning and artificial neural networks in chemistry. Dissipative Particle Dynamics Simulation of Multicompartment Micelle Nanoreactor with Channel for Reactants Seung Min Lee, Nicholas Bond, Connor Callaway, Benjamin Clark, Emily Farmer, MacKenzie Mallard, and Seung Soon Jang RSC Advnaces, 8, 37866-37871 (2018). Density Functional Theory - Machine Learning Approach to Analyze Band Gap of Elemental Halide Perovskites and Ruddlesden-Popper Phases Omar Allam, Colin Holmes, Zev Greenberg, Ki Chul Kim, and Seung Soon Jang ChemPhysChem, 19, 2559-2565 (2018). Molecular Modeling Approach to Determine Flory-Huggins Interaction Parameter for Polymer Miscibility Analysis Connor P. Callaway, Kayla Hendrickson, Nicholas Bond, Seung Min Lee, Parveen Sood, and Seung Soon Jang ChemPhysChem, 19, 1655-1664 (2018). Boron-Doped Coronenes with High Redox Potential for Organic Positive Electrodes in Lithium-Ion Batteries: First-Principles Density Functional Theory Modeling Study Yuntong Zhu, Ki Chul Kim, and Seung Soon Jang Journal of Materials Chemistry A, 6, 10111-10120 (2018). Density Functional Theory Modeling Assisted Investigation of Thermodynamics and Redox Properties of Boron-Doped Corannulenes for Cathodes in Lithium-Ion Batteries Jiwoong Kang, Ki Chul Kim, and Seung Soon Jang Journal of Physical Chemistry C, 122, 10675-10681 (2018). Origin and Control of Polyacrylonitrile Alignments on Carbon Nanotube and Graphene Nanoribbon Juho Lee, Ji Il Choi, Art E. Cho, Satish Kumar, Seung Soon Jang, and Yong-Hoon Kim Advanced Functional Materials, 28, 1706970 (2018). Detecting the functional complexities between high-density lipoprotein mimetics Yoshitaka J. Sei, Jungho Ahn, Taeyoung Kim, Eunjung Shin, Angel J Santiago-Lopez, Seung Soon Jang, Noo Li Jeon, Young C Jang, and YongTae Kim Biomaterials, 170, 58-69 (2018). Effect of Thermal Shrinkage Temperatures and Comonomers on Thermal Shrinkage of Uniaxially-Stretched PET Copolymer Film: Molecular Dynamics Simulation Approach Ki Chul Kim and Seung Soon Jang New Journal of Chemistry, 42, 4991-4997 (2018). Electrochemical and Electronic Properties of Boron-Doped Fullerene Derivatives for Lithium-Ion Battery Applications Parveen Sood, Ki Chul Kim and Seung Soon Jang ChemPhysChem, 19, 753-758 (2018). Electrochemical and Electronic Properties of Nitrogen Doped Fullerene and its Derivatives for Lithium-Ion Battery Applications Parveen Sood, Ki Chul Kim and Seung Soon Jang Journal of Energy Chemistry, 27, 528-534 (2018). Molecular dynamics Simulation Study on the structural properties of poly (ethylene terephthalate) under uniaxial extension and thermal shrinkage processes Ki Chul Kim and Seung Soon Jang Current Applied Physics, 18, 19-26 (2018). Enhanced Selectivity for CO2 Adsorption on Mesoporous Silica with Alkali Metal Halide due to Electrostatic Field: A Molecular Simulation Approach Soonchul Kwon, Hyuk Jae Kwon, Ji Il Choi, Ki Chul Kim, Jeong Gil Seo, Jung Eun Park, Su Jin You, Eun Duck Park, Seung Soon Jang, and Hyun Chul Lee ACS Applied Materials and Interfaces, 9, 31683-31690 (2017). Structure and Hydrophilicity of Azo Dye Rotaxane: Density Functional Theory Approach Hyerim Kim, Seung Geol Lee, Jong Seung Park, Seung Soon Jang, and Joonseok Koh Coloration Technnology, 133, 382-390 (2017). Systematic Molecular Design of Ketone Derivatives of Aromatic Molecules for Lithium-Ion Batteries: First-Principles Density Functional Theory Modeling Jong Hoo Park, Tianyuan Liu, Ki Chul Kim, Seung Woo Lee, and Seung Soon Jang ChemSusChem, 10, 1584-1591 (2017). Cytoprotective Self-assembled RGD Peptide Nanofilms for Surface Modification of Viable Mesenchymal Stem Cells Daheui Choi, Hwankyu Lee, Hyun-Bum Kim, Miso Yang, Jiwoong Heo, Younsun Won, Seung Soon Jang, Jong Kuk Park, Youngsook Son, Tong In Oh, EunAh Lee and Jinkee Hong Chemistry of Materials, 29, 2055-2065 (2017). Self-Polymerized Dopamine as an Organic Cathode for Li- and Na-Ion Batteries Tianyuan Liu, Ki Chul Kim, Byeongyong Lee, Zhongming Chen, Suguru Noda, Seung Soon Jang, and Seung Woo Lee Energy and Environmental Science, 10, 205-215 (2017). Selected for Themed Collection in 2017 Energy & Environmental Science Editorial HOT articles Collagen intrafibrillar mineralization as a result of the balance between osmotic equilibrium and electroneutrality Li-na Niu, Sang Eun Jee, Kai Jiao, Lige Tonggu, Mo Li, Liguo Wang, Yao-dong Yang, Ji-hong Bian, Lorenzo Breschi, Seung Soon Jang, Ji-hua Chen, David H. Pashley, and Franklin R. Tay Nature Materials, 16, 370-378 (2017). Blends of Poly(3-Alkylthiophene) and [6,6]-Phenyl-C61-Butyric Acid Methyl Ester for Organic Photovoltaic Cell Applications: Multi-Scale Modeling Approach Hanjong Yoo, Ki Chul Kim, and Seung Soon Jang Computational Materials Science, 126, 299-307 (2017). Synthesis of temporarily solubilised azodisperse dyes containing a beta-sulphatoethylsulphonyl group anddispersant-free dyeing of polyethyleneterephthalate fabric Jae Pil Kim, Ji Su Kim,Jong Seung Park, Seung Soon Jang, and Jung Jin Lee Coloration Technnology, 132, 361-367 (2016). Dispersant-free Dyeing of Poly(Lactic Acid) Fabric with Temporarily Solubilised Disperse Dyes from Azopyridone Derivatives Young Ki Park, A Ra Jo, Seung Soon Jang, and Jung Jin Lee Coloration Technnology, 132, 353-360 (2016). Thermodynamic and Redox Properties of Graphene Oxides for Lithium-Ion Battery Applications: First Principles Density Functional Theory Modeling Approach Sunghee Kim, Ki Chul Kim, Seung Woo Lee, and Seung Soon Jang Physical Chemistry Chemical Physics, 18, 20600-20606 (2016). Interaction of Pt nanoparticle with molecular components in Polymer Electrolyte Membrane Fuel Cell: Multi-scale Modeling Approach Giuseppe F. Brunello, Ji Il Choi, Ji Hye Lee, David Harvey, Seung Geol Lee, and Seung Soon Jang RSC Advances, 6, 69670-69676 (2016). Molecular Dynamics Simulations of Aldol Condensation Catalyzed by Alkylamine-Functionalized Crystalline Silica Surfaces Ki Chul Kim, Eric G. Moschetta, Christopher W. Jones, and Seung Soon Jang Journal of the American Chemical Society, 138, 7664-7672 (2016). Dispersant-free Dyeing of Poly(Lactic Acid) Fabric with Temporarily Solubilised Disperse Dyes from Azopyridone Derivatives Young Ki Park, A Ra Jo, Seung Soon Jang and Jung Jin Lee Coloration Technnology, 132, 1-7 (2016). Low-Temperature Solution-Processed Li-Doped SnO2 as an effective Electron Transporting Layer for High-Performance Flexible and Wearable Perovskite Solar Cells Minwoo Park, Jae-Yup Kim, Hae Jung Son, Jae Woong Jung, Chul-Ho Lee, Seung Soon Jang, and Min Jae Ko Nano Energy, 26, 208-215 (2016). Ethanol infiltration into demineralized dentin collagen fibrils via molecular dynamics simulations Sang Eun Jee, Jienfeng Zhou, Jianquo Tan, Lorenzo Breschi, Franklin R. Tay, Genevieve Gregoire, David H. Pashley and Seung Soon Jang Acta Biomaterialia, 36, 175-185 (2016). Investigations of the band structures of edge-defect zigzag graphene nanoribbons using density functional theory Hye Sook Moon, Je Moon Yun, Kwang-Ho Kim, Seung Soon Jang, and Seung Geol Lee RSC Advances, 6, 39587-39594 (2016). Investigation of the effect of erythrosine B on amyloid beta peptide by using molecular modeling Juho Lee, Inchan Kwon, Seung Soon Jang and Art E. Cho Journal of Molecular Modeling, 22, 92 (2016). The effects of ethanol on the size-exclusion characteristics of type I dentin collagen to adhesive resin monomers Ayaka Chiba, Jianfeng Zhou, Masatoshi Nakajima, Jianguo Tan, Junji Tagami, Debora L Scheffel, Josimeri Hebling, Kelli Agee, Lorenzo Breschi, Genevieve Gregoire, Seung Soon Jang, Franklin Tay, David H. Pashley Acta Biomaterialia, 33, 235-241 (2016). First-Principles Density Functional Theory Modeling of Li Binding: Thermodynamics and Redox Properties of Quinone Derivatives for Lithium-Ion Batteries Ki Chul Kim, Tianyuan Liu, Seung Woo Lee and Seung Soon Jang Journal of the American Chemical Society, 138, 2374-2382 (2016). Dissipative Particle Dynamics Simulation Study of Poly(2-Oxazoline)-based Multicompartment Micelle Nanoreactor Byeong Jae Chun, Christina Clare Fisher and Seung Soon Jang Physical Chemistry Chemical Physics, 18, 6284-6290 (2016). A mechanistic study of the interaction of water-soluble borate glass with apatite-bound heterocyclic nitrogen-containing bisphosphonates Chandrani Pramanik, Parveen Sood, Li-na Niu, He Yuan, Sushanta Ghoshal, Walter Henderson, Yaodong Liu, Seung Soon Jang, Satish Kumar, David H. Pashley, Franklin Tay Acta Biomaterialia, 31, 339-347 (2016). Activating 'Invisible' Glue: Using Electron Beam for Enhancement of Interfacial Properties of Graphene-Metal Contact Songkil Kim, Michael Russell, Dhaval Kulkarni, Mathias Henry, Steve S. Kim, Rajesh R. Naik, Andrey A. Voevodin, Seung Soon Jang, Vladimir V. Tsukruk, and Andrei G. Fedorov ACS Nano, 10, 1042-1049 (2016). Effect of Uniaxial Deformation on Structure and Transport in Hydrated Nafion 117: Molecular Dynamics Simulation Study Khaldoon Abu-Hakmeh, Parveen Sood, Byeong Jae Chun, Ji Il Choi and Seung Soon Jang Materials Performance and Characterization, 4, 131-147 (2015). Dynamic Modulation of Electronic Properties of Graphene by Localized Carbon Doping Using Focused Electron Beam Induced Deposition S. Kim, M. Russell, M. Henry, S. S. Kim, R. R. Naik, A. A. Voevodin, Seung Soon Jang, V. V. Tsukruk, and A. G. Fedorov Nanoscale, 7, 14946-14952 (2015). Nanophase-Segregated Structures and Transport Properties in Sulfonated Poly (Arylene Ether Sulfone) Multiblock Copolymer Membrane for Proton Exchange Membrane Fuel Cell Khaldoon Abu-Hakmeh, Young Jun Sohn, Byungchan Bae and Seung Soon Jang Journal of Computational and Theoretical Nanoscience, 12, 3330-3340 (2015). Characterization of Molecular Association of Poly(2-oxazoline)s-based Micelles with Various Epoxides and Diols via the Flory-Huggins Theory: A Molecular Dynamics Simulation Approach Byeong Jae Chun, Jie Lu, Marcus Weck, and Seung Soon Jang Physical Chemistry Chemical Physics, 17, 29161-29170 (2015). Effect of Superacidic Side Chain Structures on High Conductivity Aromatic Polymer Fuel Cell Membranes Ying Chang, Angela D. Mohanty, Sarah B. Smedley, Khaldoon Abu-Hakmeh, Young Hun Lee, Joel E. Morgan, Michael A. Hickner, Seung Soon Jang, Chang Y. Ryu, and Chulsung Bae Macromolecules, 48, 7117 (2015). Effect of solvent on electrical conductivity and gas sensitivity of PEDOT: PSS polymer composite films Jun Sung Hwang, Tae Hwan Oh, Se Hyun Kim, Sung Soo Han, Sung Jun Lee, Se Geun Lee, Young Jae Lee, Seung Soon Jang Journal of Applied Polymer Science, 132, 42628 (2015). Cycling performance of lithium-ion polymer cells assembled with a cross-linked composite polymer electrolyte using a fibrous polyacrylonitrile membrane and vinyl-functionalized SiO2 nanoparticles Won-Kyung Shin, Ji Hyun Yoo, Wonchang Choi, Kyung Yoon Chung, Seung Soon Jang and Dong-Won Kim Journal of Materials Chemistry A, 3, 12163-12170 (2015). High-Density Lithium Ion Energy Storage Utilizing the Surface Redox Reactions in Folded Graphene Films Tianyuan Liu, Ki Chul Kim, Reza Kavian, Seung Soon Jang and Seung Woo Lee Chemistry of Materials, 27, 3291-3298 (2015). Li Adsorption on a Graphene--Fullerene Nanobud System: Density Functional Theory Approach Wonsang Koh, Ji Hye Lee, Seung Geol Lee, Ji Ii Choi, Seung Soon Jang RSC Advances, 5, 32819-32825 (2015). Localized conductive patterning via focused electron beam reduction of graphene oxide Songkil Kim, Dhaval Kulkarni, Mathias Henry, Paul Zackowski, Seung Soon Jang, Vladimir Tsukruk and Andrei Fedorov Applied Physics Letters 106, 133109 (2015). Water Distribution in Dentin Matrices: Bound vs. Unbound Water Kelli A. Agee, Anuradha Prakki, Tariq Abu-Haimed, Ghada H. Naguib,Manar Abu Nawareg, Arzu Tezvergil-Mutluay, Debora L.S. Scheffel, Chen Chen, Seung Soon Jang, Hyea Hwang, Martha Brackett, Genevieve Gregoire, Franklin R. Tay, Lorenzo Breschii, and David H. Pashley Dental materials, 31, 205-216 (2015). Molecular Dynamics Simulation Study of Sodium Dodecyl Sulfate Micelle: Water Penetration and Sodium Dodecyl Sulfate Dissociation Byeong Jae Chun, Ji Il Choi, and Seung Soon Jang Colloids and Surfaces A: Physicochemical and Engineering Aspects, 474, 36-43 (2015). Adsorption of Carboxylate on Calcium Carbonate Surface: Molecular Simulation Approach Byeong Jae Chun, Seung Geol Lee, Ji Il Choi, and Seung Soon Jang Colloids and surfaces A: Physicochemical and Engineering Aspects, 474, 9-17 (2015). A First- Principles Study of Lithium Adsorption on A Graphene-Fullerene Nanohybrid System Wonsang Koh, Hye Sook Moon, Seung Geol Lee, Ji Ii Choi and Seung Soon Jang ChemPhysChem, 16, 789-795 (2015). Effect of ZnO nanoparticles morphology on UV blocking of poly (vinylalcohol)/ZnO composite nanofibers Young Min Im, Tae Hwan Oh, Joseph A. Nathanael, and Seung Soon Jang Materials Letters, 147, 20 (2015). All Solid-State Lithium Batteries Assembled with Hybird Solid Electrolyte Yun-Chae Jung, Sang-Min Lee, Jeong-Hee Choi, Seung Soon Jang, and Dong-Won Kim Journal of Electrochemical Society, 162, A704-A710 (2015). Functionalized Fullerenes in Water: A Closer Look Samuel D. Snow, Ki Chul Kim, Kyle J. Moor, Seung Soon Jang, Jae-Hong Kim Environmental Science & Technology, 49, 2147 (2015). Interaction of C60 with Water: First-Principles Modeling and Environmental Implications Ji Il Choi, Samuel Snow, Jae-Hong Kim, and Seung Soon Jang Environmental Science & Technology, 49, 1529 (2015). Li Adsorption on a Fullerene-Single Wall Carbon Nanotube Hybrid System: Density Functional Theory Approach Wonsang Koh, Ji Il Choi, Euigyung Jeong, Seung Geol Lee and Seung Soon Jang Current Applied Physics, 14, 1748-1754 (2014). A Density Functional Theory (DFT) Study of CO2 adsorption on Mg-rich minerals by enhanced charge distribution Soonchul Kwon, Ji Il Choi, Seung Geol Lee and Seung Soon Jang Computational Materials Science 95, 181-186 (2014). Controlling Physicochemical State of Carbon on Graphene Using Focused Electron Beam Induced Deposition (FEBID) Songkil Kim , Dhaval Kulkarni , Richard Davis , Sang Nyon Kim , Rajesh Naik , Andrey Voevodin , Seung Soon Jang, Vladimir Tsukruk and Andrei Fedorov ACS Nano 8, 6805 (2014). Molecular Dynamics Simulation Study of Polysulfone-based Anion Exchange Membrane in Comparison with Proton Exchange Membrane Kyung Won Han, Kwan Ho Koh, Khaldoon Abu-Hakmeh, Chulsung Bae, Young Jun Sohn, and Seung Soon Jang The Journal of Physical Chemistry C 118, 12577 (2014). Structure Solution from Powder Diffraction of Copper 1,4-Benzene Dicarboxylate Cantwell G. Carson, Giuseppe Brunnello, Seung Geol Lee, Seung Soon Jang, Rosario A. Gerhardt, Rina Tannenbaum European Journal of Inorganic Chemistry , 2140 (2014). Bandgap Bowing for Efficient Ta-W-O photoanodes: Lessons from Density Functional Theory and X-Ray Diffraction Ramy Nashed, Faisal Alamgir, Seung Soon Jang, Yehea Ismail, Mostafa El-Sayed, and Nageh Allam Applied Physics Letters 103, 133905 (2013). The importance of size-exclusion characteristics of type I collagen in bonding to dentin matrices Masahiro Takahashi, Masatoshi Nakajima, Junji Tagami, Debora Scheffel, Ricardo Carvalho, Annalisa Mazzoni, Milena Carrilho, Arzu Tezvergil-Mutluay, Lorenzo Breschi, Leo Tjaderhane, Seung Soon Jang, Franklin Tay, Kelli Agee, David Pashley Acta Biomaterialia, 9, 9522-9528 (2013). Adsorption of Beta-D-Glucose and Cellobiose on Kaolinite Surfaces: Density Functional Theory (DFT) Approach Seung Geol Lee, Ji Il Choi, Wonsang Koh and Seung Soon Jang Applied Clay Sciences, 71, 73-81 (2013). Polymer electrolyte membranes based on poly(arylene ether sulfone) with pendant perfluorosulfonic acid Ying Chang, Giuseppe F. Brunello, Jeffrey Fuller, Melanie L. Disabb-Miller, Marilyn Hawley, Yu Seung Kim, Michael A. Hickner, Seung Soon Jang and Chulsung Bae Polymer Chemistry, 4, 272-281 (2013). Multi-Scale First-Principles Modeling of Three-Phase System of Polymer Electrolyte Membrane Fuel Cell Giuseppe F. Brunello, Ji Il Choi, David A. Harvey, and Seung Soon Jang ECS Transactions, 50, 155-160 (2012). Investigation of the Hydrogen Storage Mechanism of Expanded Graphite by Measuring Electrical Resistance Changes Ji Sun Im, Seung Soon Jang, and Young-Seak Lee Bulletin of the Korean Chemical Society, 33, 3033-3038 (2012). Deswelling mechanisms of surface-grafted poly(NIPAAm) brush: Molecular Dynamics Simulation Approach Seung Geol Lee, Tod A Pascala, Wonsang Koh, Giuseppe F. Brunello, William A. Goddard III and Seung Soon Jang The Journal of Physical Chemistry C, 116, 15974 (2012). Effect of monomeric sequence on transport properties of D-glucose and ascorbic acid in poly(VP-co-HEMA) hydrogels with various water contents: Molecular dynamics simulation approach Seung Geol Lee, Wonsang Koh, Giuseppe F. Brunello, Ji Il Choi, David G. Bucknall and Seung Soon Jang Theoretical Chemistry Accounts,131, 1206 (2012). Influence of SWNTs on The Preferential Alignment of Molecular Moieties in PVA Fibers Ericka Nicole Johnson Ford, Marilyn Lillith Minus, Tao Liu, Ji Il Choi, Seung Soon Jang and Satish Kumar Macromolecular Chemistry and Physics, 213, 617 (2012). Magnetism in Dopant-Free ZnO Nanoplates Jung-Il Hong, Jiil Choi, Seung Soon Jang, Jiyeong Gu, Yangling Chang, Gregory Wortman, Robert L. Snyder and Zhong Lin Wang Nano Letters, 12, 576-581 (2012). Aromatic Ionomers with Highly Acidic Sulfonate Groups: Acidity, Hydration, and Proton Conductivity Ying Chang, Giuseppe F. Brunello, Jeffrey Fuller, Marilyn Hawley, Yu Seung Kim, Melanie Disabb-Miller, Michael A. Hickner, Seung Soon Jang and Chulsung Bae Macromolecules, 44, 8458 (2011). Effect of Temperature on Water molecules in Model Epoxy Molding Compound: Molecular Dynamics Simulation Approach Seung Geol Lee, Ji Il Choi, Wonsang Koh, Seung Soon Jang, Jongman Kim and Gene Kim IEEE Transactions on Components, Packaging and Manufacturing Technology,1, 1533 (2011). Effect of Temperature on Structure and Water Transport of Hydrated Sulfonated Poly (Ether Ether Ketone): A Molecular Dynamics Simulation Approach Giuseppe F. Brunello, William R. Mateker, Seung Geol Lee, Ji Il Choi and Seung Soon Jang Journal of Renewable and Sustainable Energy, 3, 043111 (2011). Selected as a Frontier Research by the Virtual Journal of Nanoscale Science & Technology (American Institute of Physics), 24 (7), (2011) Mechanism of Li Adsorption on Carbon Nanotube-Fullerene Hybrid System: First-Principles Study Wonsang Koh, Ji Il Choi, Kevin Donaher, Seung Geol Lee and Seung Soon Jang ACS Applied Materials and Interfaces 3, 1186 (2011). Negative Differential Resistance of Oligo(Phenylene Ethynylene) Self-Assembled Monolayer Systems: The Electric-Field-Induced Conformational Change Mechanism Hyungjun Kim, Seung Soon Jang, Richard A. Kiehl and William A. Goddard, III The Journal of Physical Chemistry C 115, 3722 (2011). First-Principles Study of Li Adsorption in a Carbon Nanotube - Fullerene Hybrid System Wonsang Koh, Ji I. Choi, Seung G. Lee, Wang R. Lee and Seung Soon Jang Carbon 49, 286-293 (2011). Organicus Aqua Regia - Powerful Liquids for Dissolving Noble Metals Wei Lin, Rong-Wei Zhang, Seung Soon Jang, Ching-Ping Wong, Jung-Il Hong Angewandte Chemie International Edition 49, 7929 (2010). Selected in Nature Research Highlights (Nature 467, 503 (2010)) Sponge Behaviors of Functionalized Few-Walled Carbon Nanotubes In-Yup Jeon, Ji Il Choi, Seung Geol Lee, Han Gi Chae, Seung Soon Jang, Satish Kumar and Jong-Beom Baek The Journal of Physical Chemistry C 114, 14868 (2010). Selected in Nature Asia Materials Highlights "http://www.nature.com/am/journal/2010/201011/full/am2010171a.html" Stability of Water-stable C60 Cluster to OH Radical Oxidation and Hydrated Electron Reduction Jaesang Lee, Weihua Song, Seung Soon Jang, John D. Fortner, Pedro J. J. Alvarez, William J. Cooper and Jae-Hong Kim Environmental Science & Technology 44, 3786 (2010). 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 33, 333 (2010). Interfacial Reactions of Ozone with Surfactant Protein B in a Model Lung Surfactant System 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 Journal of the American Chemical Society 132, 2254-2263 (2010). Structural and Electronic Properties of Sulfuric Acid-Doped Single-Walled Carbon Nanotube Ji Il Choi and Seung Soon Jang Journal of Computational and Theoretical Nanoscience 7, 232-236 (2010). A hydrogen storage nanotank: lithium-organic pillared graphite Sang Soo Han and Seung Soon Jang Chemical Communication 5427-5429 (2009). Molecular dynamics simulation of P (VP-co-HEMA) hydrogels:Effect of water content on equilibrium structures and mechanical properties Seung Geol Lee, Giuseppe F. Brunello, Seung Soon Jang and David G. Bucknall Biomaterials 30, 6130-6141 (2009). 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 6, 1482-1486 (2009). A Molecular Dynamics Simulation 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 1, 033101 (2009). i) Selected as the cover of the issue ii) Selected as a Frontier Research in Organic-Inorganic Hybrid Nanostructures by the Virtual Journal of Nanoscale Science & Technology (American Institute of Physics), 19 (22), (2009) 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 The Journal of Physical Chemistry B 113, 6604 (2009). 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 The Journal of Physical Chemistry A 113, 2136 (2009). 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 The Journal of Physical Chemistry 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 The Journal of Physical Chemistry 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 The Journal of Physical Chemistry A 112, 3133 (2008). 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 The Journal of Physical Chemistry B 111, 1729 (2007). [Additions and Corrections]The Journal of Physical Chemistry B 111, 14440 (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 The Journal of Physical Chemistry 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 The Journal of Physical Chemistry 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 Journal of the American Chemical Society 127, 14804-14816 (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, The Journal of Chemical Physics 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 The Journal of Physical Chemistry 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 Physical Review Letter 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 Journal of the American Chemical Society 127, 4959-4964 (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 Journal of the American Chemical Society 127, 1563-1575 (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, The Journal of Physical Chemistry B 108, 12130-12140 (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, Journal of the American Chemical Society 126,12636-12645 (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, The Journal of Physical Chemistry B 108, 10041-10052 (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, The Journal of Physical Chemistry B 108, 3149-3157 (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, The Journal of Chemical Physics 119, 1843-1854 (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, 5331-5341 (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, Journal of Polymer Science: Part B: Polymer Physics 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, The Journal of Chemical Physics 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, The Journal of Chemical Physics 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, Macromolecular Theory and Simululations 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, Journal of Polymer Science: Part B: Polymer Physics 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, Journal of Polymer Science: Part B: Polymer Physics 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, Journal of Korean Fiber Society 32, 260 (1995).