Conference/Seminar Presentations/Papers

  1. Seung Min Lee, Seong Hyeon Kweon and Sang Kyu Kwak*, "Computational Screening of Photo-Acid Generators via Multiscale Simulation for Enhanced Line Edge Roughness in Photoresist", 04/2025, KIChE Spring Meeting, Daegu, Korea

  2. Seung Hak Oh, Joong-Kwon Kim, Myeong-Oh Song, Seyeon Jang, Seok Ju Kang, Jungho Jin and Sang Kyu Kwak*, "Theoretical Study on Mechanical Properties of Polylactic Acid Composites Reinforced with Nanocellulose and Nanochitin", 04/2025, KIChE Spring Meeting, Daegu, Korea

  3. Seong Hyeon Kweon, Jae Kwon Shin, Jongmin Han, Jung Min Ha, Myoung Hoon Song, Han Young Woo, and Sang Kyu Kwak*, "Theoretical Study on Crystal Growth and Binding Affinity of Multidentate Additives for High-Performance Perovskite Light-Emitting Diodes", 04/2025, KIChE Spring Meeting, Daegu, Korea

  4. Yumi Cho, Jin Chul Kim, Kyoungmun Lee, Siyoung Q. Choi, and Sang Kyu Kwak*, "Theoretical Investigation of Selective Toluene Oxidation at the Oil-Water Interface", 04/2025, KIChE Spring Meeting, Daegu, Korea

  5. Seung Min Lee, Seong Hyeon Kweon and Sang Kyu Kwak*, "Multiscale Simulation Method for Screening of Photo-Acid Generator for Reduced Line Edge Roughness of Photoresist", 10/2024, KIChE Fall Meeting, Busan, Korea

  6. Seung Hak Oh, Jin Chul Kim ,Jeong Hyeon Lee ,Kyeongmin Baek, Jong-San Chang, and Sang Kyu Kwak*, "Theoretical Study of Tetrafluoromethane (CF4) Decomposition Using γ-alumina Catalyst", 10/2024, KIChE Fall Meeting, Busan, Korea

  7. Seong Hyeon Kweon, Kyung Min Lee, Hong-I Kim, Sang-Young Lee, and Sang Kyu Kwak*, "Theoretical Study of Effect of 2-(trimethylazaniumyl)acetate Additive on Desolvation of Zn Salts at Low Temperature", 10/2024, KIChE Fall Meeting, Busan, Korea

  8. Yumi Cho, Batakrishna Jana, Seongeon Jin, Eun Min Go, Ja-Hyoung Ryu, and Sang Kyu Kwak*, "Computational Study of Lysosome-Targeted Anticancer Drugs: Effects of Peptide Length on Cancer Cell Death", 10/2024, KIChE Fall Meeting, Busan, Korea

  9. Daeho Kim, Sang Kyu Kwak, Donghun Kim, Sang Su Han, "Balancing the Activity and Stability of Ternary OER Catalysts Using AI and Automated Electrochemical Measurement System", 11/2024, ENGE 2024, Jeju, Korea

  10. Kyeong-Seok Oh, Ji Eun Lee, Yong-Hyeok Lee, Yi-Su Jeong, Imanuel Kristanto, Hong-Seok Min, Sang-Mo Kim, Young Jun Hong, Sang Kyu Kwak*, and Sang-Young Lee*, "Elucidating Ion Transport Phenomena in Sulfide/Polymer Composite Electrolytes for Practical Solid-State Batteries", 10/2024, PRiME 2024, Hawaii, USA

  11. Gaeun Park, Sangpil Kim, Yumi Cho, Dohyun Kim, Seung Hak Oh, Eunshil Choi, Sang Kyu Kwak*, and Ja-Hyoung Ryu*, "A Transformable siRNA Nanomedicine via Spatially Controlled Disulfide Polymerization for Stable Packaging and Synergistic Therapy", 07/2024, NANO KOREA 2024, Goyang, Korea

  12. Seung Min Lee, Hyeongjun Kim, Yoon-Sung Lee, Koeun Kim, Joong-Hyun Chun, Sung You Hong, Nam-Soon Choi, and Sang Kyu Kwak*, "Study of Reductive Decomposition Mechanism of Synthetic Fluorosulfate Additive for Elastic Solid Electrolyte Interphase", 10/2023, KIChE Fall Meeting, Daejeon, Korea

  13. Seong Hyeon Kweon, Yun Seop Shin, Seong Hak Oh, Jin Young Kim, and Sang Kyu Kwak*, "Theoretical Understanding of Perovskite Phase via DFT calculation for Efficient Pure-Blue LEDs", 10/2023, KIChE Fall Meeting, Daejeon, Korea

  14. Hyeongjun Kim, Ju Hyun Park, Sang Eun Yoon, Yongjin Kim, Hyo-Geun Kwon, Unjeong Kim, Sang Yeon Lee, Hyuntak Seo, Sang-Wook Kim, Jong Hyun Kim, and Sang Kyu Kwak*, "First-Principles Study on Phase Transition and Metallic Properties of Cu-Fe-S Colloidal Nanocrystals for Optoelectronic Application", 10/2023, KIChE Fall Meeting, Daejeon, Korea

  15. Seung Hak Oh, Jeong Hyeon Lee, Jin Chul Kim, Jiyun Lee, Seung-Woo Lee, Byoung-Young Choi, and Sang Kyu Kwak*, "Study of Effect of Control Factor on CO2 Mineralization toward Forsterite via DFT calculation and MD simulation ", 10/2023, KIChE Fall Meeting, Daejeon, Korea

  16. Yumi Cho, Eun Min Go, Hyang Mi Lee, Chetan Revadekar, Yong Woo Kim, Kyu Hwan Choi, Bum Jun Park, and Sang Kyu Kwak*, "Coarse-grained Simulation Study on Experimentally Measured Colloidal Debye Force ", 10/2023, KIChE Fall Meeting, Daejeon, Korea

  17. Sang Kyu Kwak*, Hyeongjun Kim, Ju Hyun Park, Sang Eun Yoon, Yongjin Kim, Hyo-Geun Kwon, Unjeong Kim, Sang Yeon Lee, Hyuntak Seo, Sang-Wook Kim*, and Jong Hyun Kim*, "Theoretical study on remarkable electrical conductivity of Cu-Fe-S colloidal nanocrystals", 09/2023, ACTS2023 Taiwan, virtual conference, Taiwan

  18. Sung O Park, Hyeong Yong Lim, Su Hwan Kim, Gwan Yeong Jung and Sang Kyu Kwak*, "Complementation of thermodynamic volcano analysis on oxygen evolution catalysts with a unifying approach: considering the symmetry of reaction steps and kinetics", 10/2021, KIChE Fall Meeting, Gwangju, Korea

  19. Jiyun Lee and Sang Kyu Kwak*, "Structural study of guest-host complex of reactive mesogen for negative dispersion of birefringence", 10/2021, KIChE Fall Meeting, Gwangju, Korea

  20. Kyung Min Lee, Ji Eun Lee, Sang-Young Lee, and Sang Kyu Kwak*, "Theoretical investigation toward Li-ion conducting channel based on G-quadruplex", 10/2021, KIChE Fall Meeting, Gwangju, Korea

  21. Ji Eun Lee, Jin Chul Kim, Yu Jin Kim, Kyung Min Lee, Jeong Hyeon Lee, Hyeong Yong Lim, Ki Bong Lee, and Sang Kyu Kwak*, "Theoretical Prediction of CO Selective Adsorption of the Activated Carbon (AC) - Supported Metal Halide Cluster", 10/2021, KIChE Fall Meeting, Gwangju, Korea

  22. Eun Min Go, Eunhye Shin, and Sang Kyu Kwak*, "Theoretical study on heat transfer mechanism of nanofluids with functionalized graphene flakes in confined nanopipe system", 04/2021, CSE, e-conference, Korea

  23. Jeong Hyeon Lee, Jin Chul Kim, and Sang Kyu Kwak*, "Orientation-dependent H2/CO2 permeability of DDR zeolite membrane", 10/2020, KIChE Fall Meeting, e-conference, Korea

  24. Sang Kyu Kwak*, "Prediction of Crystallization Behavior via Molecular Modeling and Simulation", 10/2020, KIChE Fall Meeting, e-conference, Korea

  25. SeonWoo Shin, Eun Min Go, Eunhye Shin, and Sang Kyu Kwak*, "Theoretical Study of Functionalized Oncolytic Virus on Cancer Cell Targeting via Coarse-grained Molecular Dynamics Simulation using Nurion-KNL System", 10/2020, KIChE Fall Meeting, e-conference, Korea

  26. (Invited Talk) Sang Kyu Kwak*, Imanuel Kristanto, Woo Cheol Jeon, "Non-equilibrium Molecular Dynamics Study on Ag Nanocrystallization in Polyol Solution", 11/2019, ICMS, Jeju, Korea

  27. Tae-Ung Wi, Chanhee Lee, Fahmi Rahman, Wooseok Go, Min-Ho Kim, Su Hwan Kim, Daeyeon Hwang, Sang Kyu Kwak, Youngsik Kim and Hyun-Wook Lee, "The Chemical Stability of Nasicon As a Solid Electrolyte for Seawater Batteries", 10/2019, 236th ECS Meeting, Atlanta, GA

  28. Yuju Jeon, Sujin Kang, Se Hun Joo, Sung O Park, Minjae Cho, Sang Kyu Kwak, Hyun-Wook Lee and Hyun-Kon Song, "The Pyridinic-to-Graphitic Conformational Change of Nitrogen of Graphitic Carbon Nitride on Lithium Coordination during Lithium Plating", 10/2019, 236th ECS Meeting, Atlanta, GA

  29. Gwan Yeong Jung, Tae Kyung Lee, JinHyeok Cha and Sang Kyu Kwak*, "A DFT Study for Selective Gas Sensing on Functionalized Graphene", 10/2019, KIChE Fall Meeting, Daejeon, Korea

  30. Sang Kyu Kwak*, Jeong Hyeon Lee, Woo Cheol Jeon, Jin Chul Kim, Sang-Hyun Jung and Soo Gyeong Cho, "Enhanced Reaction Kinetics of Detonator-Integrated Nanobomb", 10/2019, KIChE Fall Meeting, Daejeon, Korea

  31. Tae Kyung Lee, Jiyun Lee, Minjin Kim, Dong Suk Kim, Gi-Hwan Kim, Jin Young Kim and Sang Kyu Kwak*, "Theoretical Study on Effect of Methylammonium Chloride Additive on Crystallinity of α-phase FAPbI3 Perovskite Structure for High-performance Solar cell", 10/2019, KIChE Fall Meeting, Daejeon, Korea

  32. Sung O Park, Kyung Min Lee, Hyeong Yong Lim, and Prof. Sang Kyu Kwak*, "Unveiling electrochemical oxygen reduction activity of defective basal plane of carbon nanomaterials", 10/2019, KIChE Fall Meeting, Daejeon, Korea

  33. Se Hun Joo, Ju Hyun Park, Jaehyun Park, Yoon-Jeong Kim, Seokhoon Ahn, Seok Ju Kang, and Sang Kyu Kwak"Computational Study on Organic Semiconductor C60/cHBC Cocrystal for Highly Conductive Lithium Host Electrode", 10/2019, KIChE Fall Meeting, Daejeon, Korea

  34. Kyung Min Lee, Young Jae Kim, Oh-Hoon Kwon and Sang Kyu Kwak*, "Theoretical Estimation of Difference in Hydrogen-Bond Free Energy of Biological Water and Bulk Water", 10/2019, KIChE Fall Meeting, Daejeon, Korea

  35. Ju Hyun Park, Se hun Joo, Seok Ju Kang and Sang Kyu Kwak, "Identification of Crystal Structure and Lithium-Ion Storage Mechanism of Fluorinated-Contorted Hexabenzocoronene", 04/2019, KIChE spring meeting, Jeju, Korea

  36. Eun Min Go, Jun Yong Oh, Ja-Hyoung Ryu, and Sang Kyu Kwak, "Theoretical Investigation on Prevention of Protein Adsorption by Coated Surface of Cloaking Nanoparticles with Protein Corona Shield", 04/2019, KIChE spring meeting, Jeju, Korea

  37. Jin Chul Kim, Jeong Hyeon Lee, Asim Riaz, Jaehoon Kim, and Sang Kyu Kwak*, "Theoretical Study on Depolymerization of Lignin using Supercritical Ethanol and Formic Acid ", 2018.10.25, KIChE, Deagu korea

  38. Imanuel Kristanto, and Sang Kyu Kwak*, "2D HS Free Energy Calculation through Free Volume Approach", 2018.10.25, KIChE, Deagu korea

  39. Woo Cheol Jeon, Jeong Hyeon Lee, Jin Chul Kim and Sang Kyu Kwak*, "Effects of Structural Modification of Carbon Nanotube on Decomposition of Confined Nitromethane via Molecular Simulations", 2018.10.25, KIChE, Deagu korea

  40. Dae Yeon Hwang and Sang Kyu Kwak*, "Prediction of sp3-tized diamond like structure induced by surface hydrogenation of multilayer graphene", 2018.10.25, KIChE, Deagu korea

  41. Eunhye Shin, Eun Min Go, Min Sun Yeom and Sang Kyu Kwak*, "Theoretical Study of Interaction Mechanism of Bacterial Cell Membrane and Polymer-coated Nanopillar via Coarse-Grained Molecular Dynamics", 2018.10.26, KIChE, Deagu korea

  42. So-Dam Sohn, SH Kim, Sang Kyu Kwak*, HJ Shin, "Defect-associated adsorption of monoethanolamine on TiO2 (110) surface: From single molecules to a monolayer", 20180822, ACS National Meeting, Boston, USA

  43. Imanuel Kristanto, Woo Cheol Jeon and Sang Kyu Kwak*, “A Molecular Dynamic Study on Silver Nanocrystal Growth Mechanism Under Shear Flow”, 2018, CGOM13, Seoul, Korea (2018.08.27-30)

  44. Sang Kyu Kwak*, Imanuel Kristanto, and Woo Cheol Jeon, “Silver Nanocrystal Growth Mechanism under Shear Flow via Molecular Dynamics Simulation”, 2018, Fundamentals of Crystallization 1 session at ACTS-2018, Biopolis, Singapore (2018.06.20-22)

  45. Su Hwan Kim and Sang Kyu Kwak, "Theoretical Study on the Enhancement of Oxygen Adsorption by Superlattice Structures of Transition Metal Oxides", 14/12/2017, 2017 제 4회 KGPF conference, Busan, Korea

  46. Tae Kyung Lee and Sang Kyu Kwak, "Theoretical Design of Photocatalytic System with Hot Electron of Noble Metal Nanoparticle: Effect of Atomic Size Defects", 14/12/2017, 2017 제 4회 KGPF conference, Busan, Korea

  47. Su Hwan Kim, Dae Yeon Hwang and Sang Kyu Kwak* "Theoretical Study on Hong-Type NASICON Structure for the Application on Sodium-ion Battery

  48. Jin Chul Kim, Jeong Hyeon Lee, Jung Kyu Choi, and Sang Kyu Kwak*, "Highly Oriented Siliceous Zeolite Membrane for Effective Separation of Post-combustion Gas", 11/2017, ICSST 17, Busan, Korea

  49. Manayath Thekkeyil Jeena, Loganathan Palanikumar, Eun Min Go, Inhye Kim, Myoung Gyun Kang, Seon Ik Lee, Sooham Park, Huyeon Choi, Chaekyu Kim, Seon-Mi Jin, Sung Chul Bae, Hyun-Woo Rhee, Eunji Lee, Ja-Hyoung Ryu, and Sang Kyu Kwak, "Mitochondria Localization induced self assembly of peptide amphiphile to induce Cellular Dysfunction" 10/2017, KSBM fall meeting, Pangyo, Korea

  50. Su Hwan Kim, Dae yeon Hwang and Sang kyu Keak, "Effect of Doping and Defect on Hong-Type NASICON Structure(First-Principle Study)", 10/2017, KIChE Fall Meeting, Daejeon, Korea

  51. Jeong Hyeon Lee, Jin Chul Kim, Jaegeon Ryu, Gyujin Song, Soojin Park, and Sang Kyu Kwak, "Mechanistic study of AlCl3 salt-enhanced reduction of SiO2", 10/2017, KIChE Fall Meeting, Daejeon, Korea

  52. Imanuel Kristanto and Sang Kyu Kwak, "Molecular Dynamics Study on 2D Hard-sphere Dimensional Transition", 10/2017, KIChE Fall Meeting, Daejeon, Korea

  53. Woo Cheol Jeon, Jeong Hyeon Lee, Sung O Park and Sang Kyu Kwak, "Prediction of shear viscosity of glycerin via molecular dynamic study", 10/2017, KIChE Fall Meeting, Daejeon, Korea

  54. Gwan Yeong Jung, Woo Cheol Jeon, Sang-Hyun Jung, Soo Gyeong Cho and Sang Kyu Kwak, "Reaction Characteristics of Self-propagating Ni-Al Nanolayers: Molecular Dynamics Study", 10/2017, KIChE Fall Meeting, Daejeon, Korea

  55. Eun Hye Shin and Sang Kyu Kwak, "Computational Study of CO2 Adsorption on Metal Doped ZrO2", 10/2017, KIChE Fall Meeting, Daejeon, Korea

  56. Tae Kyung Lee and Sang Kyu Kwak, "Theoretical Design of Photocatalytic System with Hot Electron of Noble Metal Nanoparticle", 10/2017, KIChE Fall Meeting, Daejeion, Korea

  57. Handi Setiadi, Jae Hoon Kim, and Sang Kyu Kwak, "Computational Study on Li4C6H2O8 as Anode Material for Li-ion Battery", 04/2017, KIChE Spring Meeting, Jeju, Korea

  58. Tae Kyung Lee, Eun Min Go, and Sang Kyu Kwak, "Theoretical Study on Enhancement of Sensing Capability of Plasmonic Dimer Au Nanoparticles with Amphiphilic Polymer Brushes", 12/2016, Korea Global PhD Fellowship Annual Conference, Sejong, Korea

  59. Gwan Yeong Jung, Woo Cheol Jeon and Sang Kyu Kwak, "Mechanistic study of CO2 Adsorption and Desoprtion on Li4SiO4", 10/2016, KIChE Fall Meeting, Daejeon, Korea

  60. Se Hun Joo, Do Hyeong Kim, Gwan Yeong Jung, Seok Ju Kang and Sang Kyu Kwak, "Ferroelectric Polarization in Poly(vinylidene difluoride) by DFT calculation", 10/2016, KIChE Fall Meeting, Daejeon, Korea

  61. Eun Hye Shin, Eun Min Go and Sang Kyu Kwak, "Interaction Mechanism of Claudin-4 Receptor and Fab1 Antibody in Pancreatic Cancer Cell Membrane", 10/2016, KIChE Fall Meeting, Daejeon, Korea

  62. Ju Hyun Park, Eun Min Go, Su Hwan Kim, Woo Sik Kim and Sang Kyu Kwak, "Analysis of Crystal morphology of Sulfamerazine (SMZ) based on the Interfacial Structures via Molecular Dynamics Simulation", 10/2016, Separation Technology session at KIChE Fall Meeting, Daejeon, Korea

  63. Tae Kyung Lee, Kester Wong and Sang Kyu Kwak, "Theorectical study on graphene hydrogenation via Birch reduction: Chair vs Boat-type configuration", 10/2016, KIChE Fall Meeting, Daejeon, Korea

  64. Jeong Hyeon Lee, Jin Chul Kim, Woo Cheol Jeon, Soo Gyeong Cho, and Sang Kyu Kwak, "Mechanistic study of decomposition of Nitro Methane encapsulated in CNT Nanocontainer via Reactive Molecular Dynamics", 10/2016, KIChE Fall Meeting, Daejeon, Korea

  65. Kester W.J. Wong and Sang Kyu Kwak, "Adsorption of 2D Materials on Sapphire: Effect of Surface Termination and Rotational Configuration" 09/2016, Int. Conference on Advanced Materials Modelling (ICAMM), Rennes, France

  66. Eun Min Go, Eun Hye Shin, and Sang Kyu Kwak, "Study of Drug Delivery Phenomena for Pancreatic Cancer via Coarse-Grained Simulation Method", 07/2016, WCCM conference, Seoul, Korea

  67. Eun Min Go, Ju Hyun Park, Su Hwan Kim, Woo Sik Kim and Sang Kyu Kwak, "Computational Study on Separation of Molecular Isomer via Hydrogen-bonded Host Frameworks", 07/2016, ICSST16, Tianjin, China

  68. Su Hwan Kim, Ju Hyun Park, Eun Min Go, Woo Sik Kim and Sang Kyu Kwak, "Toward Separation of Isomers by Hydrogen-bonded Host Frameworks via Theoretical Study", 05/2016, ACTS Meeting, China

  69. Seyeong Song, Jungwoo Heo, Tae Kyung Lee, Hye Rim Yeom, Soojin Park, Bright Walker, Sang Kyu Kwak, Jin Young Kim, "LSPR peak shift of Ag Nanodot Arrays in Polymer Solar Cells by Tuning the Refractive Index of Surrounding Medium", 04/2016, KPS Spring Meeting, Daejeon, Korea

  70. Bora Seo, Jaehyung Kim, Sang Kyu Kwak, and Sang Hoon Joo, "Preferential Horizontal Growth of WS2 Nanosheet on Carbon Nanorod: An Highly Efficient Electrocatalyst for the Hydrogen Evolution Reaction", 04/2016, KIChE Fall Meeting, Busan, Korea

  71. Kester Wong, Noe Jung Park, Christopher W. Bielawski, Rodney S. Ruoff, and Sang Kyu Kwak, "First principles study of graphene edge properties on Cu(111): Implications for easy delamination", 10/2015, KIChE Fall Meeting, Goyang, Korea

  72. Byeong Soo Shin, Sang Kyu Kwak, and Jeong Won Kang, "A molecular modeling study of carbazole-based organic polycyclic compounds for hydrogen storage applications", 10/2015, KIChE Fall Meeting, Goyang, Korea

  73. Dae Yeon Hwang, Christopher W. Bielawski, Rodney S. Ruoff, and Sang Kyu Kwak, "Structural and electronic properties of hydrogenated sp3 multilayer graphene", 10/2015, KIChE Fall Meeting, Goyang, Korea

  74. Sung O Park, Christopher W. Bielawski, Rodney S. Ruoff, and Sang Kyu Kwak, "Water-driven oxidation of single-layer graphene under strain", 10/2015, KIChE Fall Meeting, Goyang, Korea

  75. Ju Hyun Park, Ji Hye Bong, Taekyung Lim, Sang Hyun Ju, and Sang Kyu Kwak, "Estimation of Contact angle variation of water droplet on graphene", 10/2015, KIChE Fall Meeting, Goyang, Korea

  76. Su Hwan Kim, So Dam Sohn, Hyung Joon Shin, and Sang Kyu Kwak, "Computational Study of MEA adsorption on TiO2(110) surface", 10/2015, KIChE Fall Meeting, Goyang, Korea

  77. Gwan Yeong Jung, Jeong Hyeon Lee, Jin Chul Kim, and Sang Kyu Kwak, "Reaction Mechanism of Hydrogen Evolution over MoS2 : Tafel vs. Heyrovsky", 10/2015, KIChE Fall Meeting, Goyang, Korea

  78. Tae Kyung Lee, Eun Min Go, and Sang Kyu Kwak, "Investigation of detectability of amphiphilic gold dimer nanoparticle : Influence of Quantum effects and PMMA", 10/2015, KIChE Fall Meeting, Goyang, Korea

  79. Woo Cheol Jeon, Gwan Yeong Jung, Eun Hye Shin, and Sang Kyu Kwak, "Adsorption study of CO2 on Li4SiO4 nanoparticle via reactive molecular dynamics", 10/2015, KIChE Fall Meeting, Goyang, Korea

  80. Eun Min Go, Sa Hoon Min, Tae Kyung Lee, Byeong-Su Kim, Min Sun Yeom, and Sang Kyu Kwak, "Role of PMMA in Amphiphilic Polymer Brush for Optimal Increase of Absorbance in Dimer Gold Nanoparticle", 10/2015, KIChE Fall Meeting, Goyang, Korea

  81. Eun Hye Shin, and Sang Kyu Kwak, "Solvation of Lanthanide ion (III) in Water saturated Ionic Liquids by Molecular Dynamics Study", 10/2015, KIChE Fall Meeting, Goyang, Korea

  82. Sang Kyu Kwak, Dae Yeon Hwang and Jeong Hyeon Lee, "Prediction of phase transiton of FCC and HCP hard-sphere crystals via free volume approach", 08/2015, MTMS'15, Fukuoka, Japan (invited)

  83. Byeong Soo Shin, Sang Kyu Kwak and Jeong Won Kang, "DFT study of carbazole derivatives dehydrogenation on Pd(111) catalyst", 04/2015, KIChE Spring Meeting, Jeju, Korea

  84. Gwan Yeong Jung and Sang Kyu Kwak* "Ab initio Prediction of Dual Thin Film Formation of Li2SiO3 and Li2CO3", 10/2014, ICSST14, Nara, Japan

  85. Byeong Soo Shin, Sang Kyu Kwak, and Jeong Won Kang, "Carbazole-based organic polycyclic compounds for hydrogen storage applications", 10/2014, KIChE Fall Meeting, Daejeon, Korea

  86. Dae Yeon Hwang, Jeong Hyeon Lee, and Sang Kyu Kwak, "Prediction of phase transition of FCC and HCP hard-sphere crystals via Free Volume Approach", 10/2014, KIChE Fall Meeting, Daejeon, Korea

  87. Tae Kyung Lee, Eun Min Go, and Sang Kyu Kwak, "Prediction of optical properties of gold nanoparticle with polymer brush", 10/2014, KIChE Fall Meeting, Daejeon, Korea

  88. Eun Hye Shin, Se Hun Joo and Sang Kyu Kwak, "Modeling study of drug nanoparticle with Insulin via coarse-graining method", 10/2014, KIChE Fall Meeting, Daejeon, Korea

  89. Gwan Yeong Jung and Sang Kyu Kwak, "Mechanism of Chemical Depolymerization of Nylon-6 via Ionic Liquids", 10/2014, KIChE Fall Meeting, Daejeon, Korea

  90. Sang Kyu Kwak, "Molecular Modeling and Simulation: Case Studies", 08/2014, Université de Technologie de Compiègne, Compiègne, France

  91. Sang Kyu Kwak, "Molecular Modeling and Simulation (Case Studies by DFT, MD, and DPD)", 07/2014, 글로벌프론티어사업 & Korea CCS 2020 Workshop, Gwangju, Korea

  92. Woo Cheol Jeon, Tae Kyung Lee, and Sang Kyu Kwak, "Self-Assembly of CdSe/ZnS Core-Shell Quantum Dot via Dissipative Particle Dynamics", 06/2014, ACTS-2014, Nara, Japan

  93. Sang Kyu Kwak, "Molecular Modeling and Simulation: Overview", 4/2014, NUS-UNIST(CMCM,IBS) joint workshop, Ulsan, Korea

  94. Byeong Soo Shin, Sang Kyu Kwak, and Jeong Won Kang, "Carbazole-based organic polycyclic compounds for hydrogen storage applications", 10/2013, KIChE Fall Meeting, Daegu, Korea

  95. Ga Eun Son and Sang Kyu Kwak, "Vanillin Extraction via Dissipative Particle Dynamics", 04/2014, KIChE Spring Meeting, Changwon, Korea

  96. Gwan Yeong Jung and Sang Kyu Kwak, "Mechanism of Formation of Binary Solid Phase from CO2+Li4SiO4", 02/2014, Korea CCS Conference, Jeju, Korea

  97. Byeong Soo Shi, Sang Kyu Kwak, and Jeong Won Kang, "Fundamental Studies of Dehydrogenation from Liquid Organic Hydrogen Carrier (LOHC) for Hydrogen Storage Applications", 10/2013, KIChE Fall Meeting, Daegu, Korea

  98. Sang Kyu Kwak, "Towards Understanding of Defense Mechanism of Plant against Ozone by Molecular Dynamics Study", 9/2013, ATPC 2013, Jeju, Korea

  99. In Young Choi, Byeong Soo Shi, Sang Kyu Kwak, and Jeong Won Kang, "Fundamental Studies of Dehydrogenation from Liquid Organic Hydrogen Carrier (LOHC) for Hydrogen Storage Applications", 8/2013, 제 4회 유기화합물 열역학 물성 참조표준 개발 워크샵, Yesu, Korea

  100. Sang Kyu Kwak, "Molecular Modeling and Simulation in Chemical Engineering", 4/2013, Nanokorea 2013, Seoul, Korea

  101. Sang Kyu Kwak, "Molecular Modeling and Simulation & Chemical Engineering Science (화학공학과 분자 모델링 및 전산모사)", 4/2013, KIChE Spring Meeting, Daegu, Korea

  102. Sang Kyu Kwak, "Molecular Modeling and Simulation & Chemical Engineering Science (화학공학과 분자 모델링 및 전산모사)", 2/2013, KIChE Winter Symposium, Seoul, Korea (invited)

  103. Sang Kyu Kwak, "Usage of Free Surface and Volume Case study: Hard-Spheres", 10/2012, KIChE Fall Meeting, Busan, Korea

  104. Sang Kyu Kwak, "Dimer of Human Beta Defensin-28 and Its Interaction with POPC and POPG Membranes", 08/12, NANO KOREA 2012 Satellite Program (Korea-Singapore Nano Forum), South Korea (invited)

  105. Sang Kyu Kwak, "Role and Application of the Free Volume", 07/12, Reseach-Hub Workshop for Mesoscale Computation 2012, South Korea (invited)

  106. Chao Liu, Santosh Ansumali, and Sang Kyu Kwak, "A modified DSMC algorithm and Application", 02/12, 14th APCChE, Singapore

  107. Wahyu Perdana Yudistiawan and Sang Kyu Kwak, "Alternative Approach to Entropy Calculation via Molecular Simulation", 02/12, 14th APCChE, Singapore

  108. Sang Kyu Kwak, "Prediciton of Free Energy of Hard Sphere Solids: Molecular Simulaiton Approach of Free Volume", 11/10, RSCE, Bangkok, Thailand

  109. Wen Wen Chen,Derrick Tay Kok Sing, Susanna Su Jan Leong, and Sang Kyu Kwak, " Homology modeling and molecular dynamics simulations of -defensin-28", 08/10, ICCMB 2, Singapore

  110. Wen Wen Chen,Derrick Tay Kok Sing, Susanna Su Jan Leong, and Sang Kyu Kwak, " Homology modeling and molecular dynamics simulations of -defensin-28", 05/10, International Symposium on Exploring the Frontiers of Chemical and Biomedical Engineering, Singapore

  111. Wen Wen Chen and Sang Kyu Kwak, Evaluation of Bridge Function for Hard Sphere fluid Confined in Slit Pore via Transition Matrix Monte Carlo Mayer Sampling, 11/09, AICHE, Nashville, TN, USA

  112. Wahyu P. Yudistiawan, Sang Kyu Kwak, and Santosh Ansumali, Higher Order Galilean Invariant Lattice Boltzmann Model and Entropic Gauss-Hermite Quadrature? 11/09, AICHE, Nashville, TN, USA

  113. Huan Cong Huang, Sang Kyu Kwak, and Jayant K. Singh, Structure and Phase Behaviors of Confined Fluids in Single-Walled Carbon Nanotubes, 11/09, AICHE, Nashville, TN, USA

  114. Sandip Khan, Sang Kyu Kwak, and Jayant K. Singh, Phase Behavior of Associating Fluids in Contact with a Solid Surface, 11/09, AICHE, Nashville, TN, USA

  115. Wahyu Perdana Yudistiawan, Sang Kyu Kwak, Santosh Ansumali, Higher Order Galilean Invariant Lattice Boltzmann Model, 07/09, DSFD, Beijing, China

  116. Wahyu Perdana Yudistiawan, Sang Kyu Kwak, Santosh Ansumali, Higher Order Galilean Invariant Lattice Boltzmann Model, 07/09, ICMMES, Guangzhou, China

  117. Huan Cong Huang, Wen Wen Chen and Sang Kyu Kwak, Characterization of Fluid-Solid Phase Transition of Cylindrically Confined Atomic Fluid, 05/09, PBSTA 5, Singapore, Singapore

  118. Huan Cong Huang and Sang Kyu Kwak, Structure and Phase Behaviors of Confined Molecules in Nano-Cylindrical Pores, 05/09, BNPST, Beijing, China

  119. Wen Wen Chen and Sang Kyu Kwak, Bridge function for hard sphere fluid confined between planar hard walls, 05/09, BNPST, Beijing, China

  120. Sudhir K. Singh, Subimal Jana, Jayant K. Singh, and Sang Kyu Kwak, Vapor Liquid Surface Tension of Variable Square-Well Fluids and Normal Alkanes in Slit Pore, 11/08, AICHE, Philadelphia, USA

  121. Wen Wen Chen and Sang Kyu Kwak, Calculation of Bridge Function Diagrams, 05/08, RSCE, Kuala Lumpur, Malaysia

  122. Huan Cong Huang, Sang Kyu Kwak, and Jayant K. Singh, Phase Coexistence And Interfacial Properties Of Model Fluids In Cylindrical Pore, 12/07, RSCE, Yogyakarta, Indonesia

  123. Sang Kyu Kwak and Yenni Cahyana, Is Divacancy In Close-Packed Hard Sphere Crystals Intrinsic Property?, 11/07, AICHE, Salt Lake City, UT, USA

  124. Yenni Cahyana and Sang Kyu Kwak, Study of Structure and Size of Cdse Quantum Dots, 11/07, AICHE, Salt Lake City, UT, USA

  125. Sang Kyu Kwak, Jayant K. Singh, and Jhumpa Adhikari, Vapor-liquid phase coexistence curves for Morse fluids by grand-canonical transition-matrix Monte Carlo simulation, RSCE, 12/06, Singapore, Singapore

  126. Sang Kyu Kwak and Jayant K. Singh, Bulk and Interfacial Properties of Simple Confined Fluids, AICHE, 11/05, Cincinnati, OH, USA

  127. Sang Kyu Kwak and David A. Kofke, Strain Effects on Close-Packed Hard-Sphere Crystals Containing Mono and Divacancies? AICHE, 11/04, Austin, TX, USA

  128. Sang Kyu Kwak, Jayant K. Singh and David A. Kofke, Characterization of Thermodynamic Properties using High-order Cluster Integrals Calculated via Mayer-Sampling Molecular Simulation, AICHE, 11/04, Austin, TX, USA

  129. Sang Kyu Kwak and David A. Kofke, Direct Evaluation of Coefficients of Bridge Function by Using Mayer Sampling? MTSM, 06/04, Buffalo, NY, USA

  130. David A. Kofke, Jayant K. Singh, Sang Kyu Kwak, and Di Wu, Etomica: A Java-based development environment for molecular simulation s, PPEPPD, 05/04, Snowbird, UT, USA

  131. Sang Kyu Kwak and David A. Kofke, Extending the HNC Integral Equation Theory through Direct Evaluation of Bridge Diagrams using Molecular Simulation, PPEPPD, 05/04, Snowbird, UT, USA

  132. Sang Kyu Kwak and David A. Kofke, Study of Vacancies in FCC Hard-Sphere Crystals, FOMMS, 07/03, Keystone, CO, USA

  133. Sang Kyu Kwak and David A. Kofke, Study of Vacancies in FCC Hard-Sphere Crystals, MTSM, 05/03, Columbus, OH, USA