In-silico Molecular Engineering Lab

2026

85. Joonhyeok Park, Tao Li, Yongjin Lee*, "PSYMOF: Computational Workflow Enabling Systematic Post-Synthesis Modification of Metal-Organic Frameworks", npj Computational Materials 12, 17 (2026).[Link]

84. Jae Seo Park, Ji Yong Park, Da Hee Jang, Jung Sub Kim, Minseouk Choi, Yosub Kang, Ji Won Kang, Dong Kyum Kim, Yongjin Lee, Young Shik Cho, Jae Ho Kim, Taehoon Kim, Seung Jae Yang, "Nano-percolation engineering of carbon nanotube films for ultra-high transmittance exceeding 99 %", Chemical Engineering Journal 528, 172247 (2025).[Link]

2025

83. Hyeonsuk Yoo, Ruth Mwongeli Muthoka, Joonhyeok Park, Xiangyu Zhang, Yongjin Lee*, "High-Throughput Computational Framework for the Discovery of Structurally Diverse Monomers in High-Strength Aramid Fibers", Journal of Chemical Information and Modeling 65, 13282-13295 (2025).[Link]

82. Benjapat Kanlayaprasit, Joonhyeok Park, Yongjin Lee*, Tae-Hyun Bae*, "Amine-Functionalized Zirconium-Ellagate Framework for Enhanced Water Permeance and Ion Selectivity in Thin-Film Nanocomposite Nanofiltration Membranes", Journal of Water Process Engineering 80, 109154 (2025).[Link]

81. Dongjin Kim, Dong-Woo Cho, Yongjin Lee*, "Computational Discovery of Green Deep Eutectic Solvents for Sustainable Acetonitrile–Water Separation", Journal of Molecular Liquids 440, 128966 (2025).[Link]

80. Jeein Hong, Susung Kim, Gyeong Bae Song, Bokyung Kim, Myung Gil Choi, Seokheon Kim, Ji-Hyun Kim, Yongjin Lee, Hae Sung Cho, and Sungguan Hong, "Mitigation of Nano-Polystyrene in water: Delving into the Mechanism of Zeolite Adsorption", Journal of Water Process Engineering 79, 108999 (2025).[Link]

79. Sunghyun Jang, Dongjin Kim, Yongjin Lee*, "Advancing Vapor-Liquid Equilibrium Predictions with the OPPES United Atom Forcefield for Associating Fluids", Korean Journal of Chemical Engineering (2025).[Link]

78. Jinyoung Park, Ruth Mwongeli Muthoka, Sunghyun Jang, Yongjin Lee*, "A Multi-Stage Graph Neural Network–Physics-Informed Neural Network (GNN–PINN) Framework for Thermodynamic Property Prediction", Industrial & Engineering Chemistry Research 64, 19722-19734 (2025).[Link]

77. Kyung Hoon Min, Byeongseok Kim, Kyoung Tae Park, Kyeongseok Min, Haryeong Choi, Hyung-Ho Park, Yongjin Lee, Sung-Hyeon Baeck, Sang Eun Shim, Yingjie Qian, "Scalable, Durable, and Malleable PVMDMS@PVP Aerogel Catalyst for CO2 Capture and Successive Gas-Phase Cycloaddition Reaction", Advanced Composites and Hybrid Materials 8, 370 (2025).[Link]

76. Sunghyun Jang, Dongjin Kim, Yongjin Lee*, "Advancing Force Field Accuracy: The Essential Role of Bond Length in Vapor–Liquid Equilibria Simulations for n-Alkanes and Ethers", Korean Journal of Chemical Engineering 42, 2729 (2025).[Link]

75. Hyeonmin Yang, Yujeong Hong, Yongjin Lee, Hosik Park, You-in Park, Tae-Hyun Bae, "Advancing polybenzimidazole organic solvent nanofiltration membranes with oxygen-rich crosslinking for rapid polar solvent flux", Separation and Purification Technology 356, 129976 (2025). [Link]

74. Joonhyeok Park, Ruth Mwongeli Muthoka, Yongjin Lee*, "Designing Thermally Resistant Polyimide Oligomers: Insights from Molecular Dynamics Simulations", Macromolecules 58, 2145 (2025). [Link]

73. Chaehoon Kim, Seunghyuck Chi, Hyeonsuk Yoo, Yongjin Lee*, Minkee Choi*, "Synthesis of Two-Dimensional Zeolite-Templated Carbons with Ordered Micropores", Microporous and Mesoporous Materials 384, 113459 (2025). [Link]

72. Myeong-Heon Yoo, Hyeonsuk Yoo, Yongjin Lee, Seok-Goo Lee, Seung-Hyun Moon, Tae-Sung Jung, Churl-Hee Cho, Heon-Do Jeong, Dong-Woo Cho, "Comparative Evaluation of HFC-134a Decompositions Over Metal-Impregnated γ-Al2O3 Catalysts (M/γ-Al2O3) (M = Mg, Ni, Co, Zn, Cu)", Advanced Energy&Sustainability Research, Early View (2025). [Link]

71. Songhyun Kim, Ruth Mwongeli Muthoka, Dongjin Kim, Yongjin Lee*, "High-throughput computational screening for optimal solvents in methyl 2-hydroxyisobutyrate-water separation", Separation and Purification Technology 354, 129144 (2025). [Link]

70. Ki Jun Kim, Chung-Yul Yoo, Joonhyeok Park, Yongjin Lee*, Churl-hee Cho*, and Dong-Woo Cho*, “Zeolite Templated Carbon Synthesized with Ion-Exchanged FAU-Zeolite Using Alkaline Earth Metal Ions for C1/C2 Hydrocarbon Separation”, Separation and Purification Technology 354, 129015 (2025). [Link]

2024

69. Ruth M. Muthoka, Hyeonsuk Yoo and Yongjin Lee*, “Molecular Insights into the Thermal Conductivity of Nanocellulose-Polydopamine Composite Systems”, Journal of Physical Chemistry C 128, 16701 (2024). [Link]

68. Hyeoksu Kwon, Seonho Kim, Hayoung Park, Jae Seo Park, Joonhyeok Park, Yongjin Lee, Seung Jae Yang, and U Hyeok Choi, "Enhancing Energy Density in Flexible All-Solid-State Supercapacitors via Dielectricizer Zwitterion-Containing Quasi-Solid-State Polymer Electrolyte", Advanced Functional Materials 2406727 (2024). [Link]

67. Hwakyung Jeong, Jaegeun Lyu, Howon Choi, Min Woo Kim, Juyoung Kim, Hyeonsuk Yoo, Yongjin Lee*, Ji Ho Youk*, Han Gi Chae*, "Enhanced thermal conductivity and mechanical property via improvement of hydrogen bonding between hexagonal boron nitride and aramid copolymer", Composites Science and Technology 253, 110652 (2024). [Link]

66. Ruth Mwongeli Muthoka, Jinyoung Park, Hyeonsuk Yoo, Min-ho Suh, Yongjin Lee*, " Comprehensive Framework for the Design of High-Performing and Sustainable Polyamides", ACS Sustainable Chemistry & Engineering, 12, 7338 (2024). [Link]

65. Siqi Li, Dongxu Wang, Yongjin Lee, Tao Li, "Preserving Mesoporosity in Type III Porous Liquids through Dual-layer Surface Engineering", Angewandte Chemie International Edition, 63, e202405288 (2024). [Link]

64. Sweety Verma, Songhyun Kim, Sanjeev Maken*, and Yongjin Lee*, "Experimental and theoretical studies of binary liquid mixtures containing methyl 2-hydroxyisobutyrate and alkanol (C3-C4) at 288.15K-323.15K", The Journal of Chemical Thermodynamics 195, 107291 (2024).[Link]

63. Seunghyuck Chi, Chaehoon Kim, Yongjin Lee*, Minkee Choi*, "Diversity in Atomic Structures of Zeolite-Templated Carbons and the Consequences for Macroscopic Properties", JACS Au 4, 1489 (2024).[Link]

62. Sweety Verma, Songhyun Kim, Manju Rani, Yongjin Lee*, Sanjeev Maken*, "Experimental and Simulation Insights into the Thermophysical Properties of Dibutyl Ether Mixed with n-Heptane and n-Octane", Korean Journal of Chemical Engineering 41, 1197 (2024).[Link]

61. Kyoungwon Lee, Yoo Lim Sim, Hyeonwoo Jeong, Asell Kim, Yongjin Lee, Sang Eun Shim, Yingjie Qian, "Mechanochemically functionalized and fibrillated microcrystalline cellulose as a filler in silicone foam: An integrated experimental and simulation investigation", Carbonate Polymers 327, 121660 (2024).[Link]

60. Busra Ozlu, Mohammad Boshir Ahmed, Ruth M. Muthoka, Zuwang Wen, Yechan Bea, Ji Ho Youk*, Yongjin Lee*, Myung Han Yoon*, Bong Sup Shim*, "Naturally derived electrically active materials for eco-friendly electronics", Materials Today Advances 21, 100470 (2024).[Link]

59. Seunghyeon Lee, Minhu Huang, Junhyuk Lee, Howon Choi, Il-Young Jo, Hyeonjun Na, Yongjin Lee*, Ji Ho Youk*, Myung-Han Yoon*, Bong Sup Shim*, "Eco-Friendly Materials for a Zero E-Waste Society: Challenges and Opportunities in Engineering Plastics", Advanced Sustainable Systems 8, 2300428 (2024).[Link]

58. Sweety Verma, Suman Gahlyan, Payal Bhagat, Manju Rani, Seetu Rana, Yongjin Lee*, Sanjeev Maken*, "Transport and Optical Properties of n-Butylamine + Alkanols (C3–C4) Mixtures for Enhanced CO2 Absorption", Korean Journal of Chemical Engineering 41, 715 (2024). [Link]

2023

57. Sweety Verma, Songhyun Kim, Sanjeev Maken, Yongjin Lee* ,"Thermodynamic and molecular simulation analysis of molecular interactions between methyl 2–hydroxyisobutyrate + water or n–alkanol (C1–C2) mixtures", Journal of Molecular Liquids 392, 123461 (2023).[Link]

56. Hyeonsuk Yoo, Ruth Mwongeli Muthoka, Xiangyu Zhang, Yongjin Lee*, "Accelerated Design of Ultra-High Performance Aramid Copolymers via High-throughput Screening Approach", ACS Applied Materials & Interfaces 15, 40877 (2023) [Link]

55. Sweety Verma, Manju Rani, Yongjin Lee*, Sanjeev Maken*,"Thermophysical properties of binary mixtures of diethyl ether as oxygenate with cyclohexane and aromatic hydrocarbons", Journal of Molecular Liquids 387, 122663 (2023).[Link]

54. Susung Lee, Younghwan Park, Yaejun Baik, Jeong-Chul Kim, Yongjin Lee*, and Minkee Choi*, "Hierarchical LTL Zeolite as an Efficient and Sustainable Solid Acid Catalyst for Replacing HCl in the Production of Polyurethane Intermediates", Angewandte Chemie International Edition 62, e202304244 (2023) [Link]

53. Sweety Verma, Payal Bhagat, Suman Gahlyan, Manju Rani, Naveen Kumar, Rajesh Kumar Malik, Yongjin Lee*, Sanjeev Maken*,"Thermodynamic study of mesitylene + alkanol mixtures: Insights into molecular interactions", Journal of Molecular Liquids 386, 122498 (2023).[Link]

52. Sweety Verma, Payal Bhagat, Suman Gahlyan, Manju Rani, Naveen Kumar, Rajesh Kumar Malik, Yongjin Lee*, Sanjeev Maken*,"Thermophysical properties of 2-amino-2-methylpropan-1-ol + alkanol mixtures: Investigation of molecular interactions by insight of FT-IR spectroscopy", Journal of Molecular Liquids 382, 121967 (2023).[Link]

51. Jongbeom Park, Kyung Ho Cho, Jeong-Chul Kim, Ryong Ryoo, Joonhyeok Park, Yongjin Lee*, and Minkee Choi*, "Design of Olefin-Phobic Zeolites for Efficient Ethane and Ethylene Separation", Chemistry of Materials 35, 2078 (2023).[Link]

50. Sweety Verma, Payal Bhagat, Suman Gahlyan, Manju Rani, Naveen Kumar, Rajesh Kumar Malik, Yongjin Lee*, Sanjeev Maken*, "Thermophysical properties of N-isopropyl-2-propanamine+alkanol (C1-C3) mixtures as absorbents for carbon dioxide capture", Korean Journal of Chemical Engineering 40, 2293 (2023).[Link]

49. Chaehoon Kim, Dong-Yeun Koh, Yongjin Lee, Jihoon Choi, HaeSung Cho, Minkee Choi, "Bottom-up synthesis of two-dimensional carbon with vertically aligned ordered micropores for ultrafast nanofiltration", Science Advances 9, eade7871 (2023). [Link]

2022

48. Leilei Song, Lihan Chen, Sanfeng He, Kexin Zhang, Ju Huang, Yuanke Chen, Xeudi Qin, Songwei Zhang, Yanhang Ma, Yongjin Lee, and Tao Li, "Repetitive in situ recycling of degraded metal-organic frameworks within nanocapsules", Journal of Materials Chemistry A 10, 6607 (2022). (IF:12.732) [Link]

47. Jiasheng Wu, Kexin Zhang, Hyeonsuk Yoo, and Yongjin Lee*, "In-Silico Generation of a Topologically Diverse Zeolite-Templated Carbon Library", Crystal Growth & Design 22, 123 (2022). (IF:4.076) [Link]

46. Sosan Hwang, Sung Hoon Jin, Yongha Kim, Jin Sung Seo, Jae-Il So, Jincheol Kim, Yongjin Lee, Sung-Hyeon Baeck, Sang Eun Shim, Yingjie Qian, "Deciphering van der Waals interaction between polypropylene and carbonated fly ash from experimental and molecular simulation", Journal of Harzadous Materials 421, 126725 (2022).[Link] (IF:10.588)

2021

45. Sang Rim Shin, Hae Sung Cho, Yongjin Lee, Suji Gim, Yong Min Jung, Hyungjun Kim, Osamu Terasaki, Jeung Ku Kang , “In-situ mapping and local negative uptake behavior of adsorbates in individual pores of metal-organic frameworks”, Journal of the American Chemical Society 143, 49 (2021). (IF:14.612) [Link]

44. Jing Tan, Yu Tao, Xiangyu Zhang, Qing Wang, Tengwu Zeng, Zhaolin Shi, Haiming Liu*, Yongjin Lee*, and Yue-Biao Zhang*, "Control over Interpenetration for Boosting Methane Storage Capacity in Metal‒Organic Frameworks", Journal of Materials Chemistry A 9, 24857 (2021).[Link] (IF:12.732)

43. Hae Sung Cho, Hideki Tanaka, Yongjin Lee, Yue-Biao Zhang, Juncong Jiang, Minho Kim, Hyungjun Kim, Jeung Ku Kang, and Osamu Terasaki, “Physicochemical Understanding of the Impact of Pore Environment and Species of Adsorbates on Adsorption Behaviour”, Angewandte Chemie International Edition 60, 14138 (2021).[Link] (IF:15.336)

42. Kexin Zhang, Jiasheng Wu, Hyeonsuk Yoo and Yongjin Lee*, “Machine Learning-based approach for Tailor-Made design of ionic Liquids: Application to CO2 capture”, Separation and Purification Technology 275, 119117 (2021).[Link] (IF:7.312)

41. Conger Li, Kexin Zhang, Junhong Liu, Songwei Zhang, Yongjin Lee, and Tao Li, “Coating the Right Polymer: Achieving Ideal Metal-Organic Framework Particle Dispersibility in Polymer Matrixes Using a Coordinative Crosslinking Surface Modification Method”, Angewandte Chemie International Edition 60, 14138 (2021).[Link] (IF:15.336)

40. Xiangyu Zhang, Kexin Zhang, Hyeonsuk Yoo and Yongjin Lee*, “Machine Learning-Driven Discovery of Metal-Organic Frameworks for CO2 Capture in humid condition”, ACS Sustainable Chemistry & Engineering 9, 2872 (2021).[Link] (IF:8.198)

2020

39. Chunhui Wu, Hongliang Wang, Kexin Zhang, Yaqi Fan, Songwei Zhang, Sanfeng He, Fang Wang, Yu Tao, Xiaowen Zhao, Yue-Biao Zhang, Yanhang Ma, Yongjin Lee, Tao Li, "Enhancing the Gas Separation Selectivity of Mixed-Matrix Membranes Using a Dual-Interfacial Engineering Approach", Journal of the American Chemical Society 142, 18503 (2020). [Link] (IF:14.612)

38. Seyed Mohamad Moosavi, Aditya Nandy, Kevin Maik Jablonka, Daniele Ongari, Jon Paul Janet, Peter G. Boyd, Yongjin Lee, Berend Smit, and Heather J. Kulik, "Understanding the diversity of the metal-organic framework ecosystem", Nature Communications 11, 4068 (2020). [Link] (IF:12.121)

37. Hongliang Wang, Kexin Zhang, Jerry Pui Ho Li, Jingyu Huang, Biao Yuan, Chen Zhang, Yi Yu, Yong Yang, Yongjin Lee, Tao Li, “Engineering Plasticization Resistant Gas Separation Membranes Using Metal-Organic Nanocapsules”, Chemical Science 11, 4687 (2020). [Link] (IF:9.346)

36. Xiao-Yuan Liu, Wei-Shang Lo, Chunhui Wu, Benjamin P. Williams, Lianshun Luo, Yang Li, Lien-Yang Chou*, Yongjin Lee*, and Chia-Kuang Tsung*, "Tuning Metal-Organic Framework Nanocrystal Shape through Facet-Dependent Coordination", Nano Letters 20, 1774 (2020). [Link] (IF:11.238)

35. Zhao-Lin Shi, Yu Tao, Jiasheng Wu, Cuizheng Zhang, Hailong He, Liuliu Long, Yongjin Lee, Tao Li, Yue-Biao Zhang, "Robust Metal-Triazolate Frameworks for CO2 Capture from Flue Gas", Journal of the American Chemical Society 142, 2750 (2020). [Link] (IF:14.612)

34. Xuedi Qin, Sanfeng He, Jiasheng Wu, Yaqi Fan, Fang Wang, Songwei Zhang, Lianshun Luo, Yanhang Ma, Yongjin Lee, Tao Li, “Tracking and Visualization of Functional Domains in Stratified MOFs Using Gold Nanoparticles”, ACS Central Science 6, 247 (2020). [Link] (IF:12.685)

33. Jing Cui, Kexin Zhang, Xiangyu Zhang and Yongjin Lee*, “A Computational Study to Design Zeolite-Templated Carbon Materials with High Performance for CO2/N2 Separation”, Microporous and Mesoporous Materials 295, 109947 (2020). [Link] (IF:4.280)

32. Xiangyu Zhang, Kexin Zhang, and Yongjin Lee*, “Machine Learning Enabled Tailor-Made Design of Application-Specific Metal Organic Frameworks”, ACS Applied Materials & Interfaces 12, 734 (2020). [Link] (IF:8.758)

2019

31. Sanfeng He, Hongliang Wang, Jing Cui, Cuizheng Zhang, Yi Yu, Yongjin Lee*, Tao Li*. “A General Way to Construct Micro- and Mesoporous Metal-Organic Framework-Based Porous Liquids”, Journal of the American Chemical Society 141, 19708 (2019). [Link] (IF:14.612)

30. Yongjin Lee and Gyeong S. Hwang, “Strong Thermal Conductivity Dependence on Arsenic-Vacancy Complex Formation in Arsenic-doped Silicon”, Journal of Applied Physics 126, 195104 (2019). [Link] (IF:2.286)

29. Xiangyu Zhang, Jing Cui, Kexin Zhang, Jiasheng Wu, and Yongjin Lee*, "Machine Learning Prediction on Properties of Nanoporous Materials utilizing Pore Geometry Barcodes", Journal of Chemical Information and Modeling 59, 4636 (2019). [Link] (IF:4.549)

28. Hae Sung Cho†, Yongjin Lee†, Jiasheng Wu, Sang-Rim Shin, Jeung Ku Kang and Osamu Terasaki, “Understanding adsorption behavior of periodic mesoporous organosilica having heterogeneous chemical environment: selective coverage and interpenetration of adsorbates inside the channel wall”, Journal of Physical Chemistry C 123, 24884 (2019). †Equally contributed [Link] (IF:4.189)

27. Sanfeng He, Hongliang Wang, Cuizheng Zhang, Songwei Zhang, Yi Yu, Yongjin Lee, Tao Li. “A Generalizable Method for the Construction of MOF@Polymer Functional Composites through Surface-Initiated Atom Transfer Radical Polymerization”, Chemical Science, 10, 1816 (2019). [Link] (IF:9.346)

2018

26. Efrem Braun, Yongjin Lee, Mohamad S. Moosavi, Rocio Mercado, Igor A. Baburin, Davide M. Proserpio and Berend Smit, “Generating carbon schwarzites via zeolite-templating”, Proceedings of the National Academy of Sciences 115, E8116 (2018). [Link] (IF:9.412)

25. Yongjin Lee*, Senja D. Barthel, Pawel Dlotko, Seyed Mohamad Moosavi, Kathryn B. Hess and Berend Smit, “High-throughput screening approach for nanoporous materials genome using topological data analysis: application to zeolites”, Journal of Chemical Theory and Computation 14, 4427 (2018). [Link] (IF:5.011)

2017

24. Yongjin Lee and Gyeong S. Hwang, “Molecular Dynamics Investigation of Thermal Conductivity of Ternary Silicon-Germanium-Tin Alloys”, Journal of Physics D: Applied Physics 50, 494001 (2017). [Link] (IF:3.169)

23. Cong-Cong Liang, Zhao-Lin Shi, Chun-Ting He, Jing Tan, Hu-Die Zhou, Hao-Long Zhou, Yongjin Lee, and Yue-Biao Zhang, “Pore Geometry Engineering of Mesoporous Metal-Organic Frameworks towards Ultrahigh Capacity Methane Storage”, Journal of the American Chemical Society 139 (38), 13300 (2017). [Link] (IF:14.612)

22. Peter G. Boyd, Yongjin Lee, and Berend Smit, “Computational Development of the Nanoporous Materials Genome”, Nature Reviews Materials 2, 17037 (2017). [Link] (IF:74.699)

21. Yongjin Lee, Senja D. Barthel, Pawel Dlotko, S. Mohamad Moosavi, Kathryn B. Hess, and Berend Smit, “Quantifying Similarity of Pore-geometry in nanoporous materials”, Nature Communications 8, 15396 (2017). [Link] (IF:12.121)

Before 2017

20. Yongjin Lee, Alexander J. Pak and Gyeong S. Hwang, “What is the Thermal Conductivity Limit of Silicon Germanium Alloys?”, Physical Chemistry Chemical Physics 18, 19544 (2016). [Link]

19. Rocio Mercado, Bess Vlaisavljevich, Li-Chiang Lin, Kyuho Lee, Yongjin Lee, Jarad A. Mason, Dianne J. Xiao, Miguel Gonzalez, Jeffrey B. Neaton, Jeffrey R. Long, and Berend Smit, “Force-Field Development from Periodic Density Functional Theory Calculations for Gas Separation Applications Using Metal-Organic Frameworks”, Journal of Physical Chemistry C 120, 12590 (2016). [Link]

18. Yongjin Lee, Alexander J. Pak, Eunsu Paek, and Gyeong S. Hwang, “Principal Role of Contact-Force Distribution in Determining the Thermal Conductivity of Supported Graphene”, Physical Review Applied 4, 014006 (2015). [Link]

17. Yongjin Lee and Gyeong S. Hwang, “Fundamental insight into control of thermal conductivity in silicon-germanium nanowires”, Materials Research Society Symposium Proceedings 1707 (2014). [Link]

16. Yongjin Lee and Gyeong S. Hwang, “Microsegregation effects on the thermal conductivity of silicon-germanium alloys”, Journal of Applied Physics 114, 174910 (2013). [Link]

15. Yongjin Lee and G. S. Hwang, “Mechanism of thermal conductivity suppression in doped silicon studied with nonequilibrium molecular dynamics”, Physical Review B 86, 075202 (2012). [Link]

14. E.K. Lee†, L. Yin†, Y. Lee†, J.W. Lee, S.J. Lee, J. Lee, S.N. Cha, D. Whang, G.S. Hwang, K. Hippalgaonkar, A. Majumdar, C. Yu, B.Y. Choi, J.M. Kim, and K. Kim, “Large Thermoelectric Figure-of-Merits from SiGe Nanowires by Simultaneously Measuring Electrical and Thermal Transport Properties”, Nano Letters 12, 2918 (2012). †Equally contributed [Link]

13. Yongjin Lee and Gyeong S. Hwang, “Force matching-based parameterization of the Stillinger-Weber potential for thermal conduction in silicon”, Physical Review B 85, 125204 (2012). [Link]

12. Yongjin Lee, Sangheon Lee, and Gyeong S. Hwang, “Effects of vacancy defects on the thermal conductivity in crystalline silicon: A nonequilibrium molecular dynamics study”, Physical Review B 83, 125202 (2011). [Link]

11. Yongjin Lee, Sunghyun Jang, Moon Sam Shin, and Hwayong Kim, “Isobaric Vapor-Liquid Equilibria for the n-hexane + 2-isopropoxyethanol and n-heptane + 2-isopropoxyethanol systems”, Fluid Phase Equilibria 276, 54-57 (2009). [Link]

10. Sunghyun Jang, Moon Sam Shin, Yongjin Lee, and Hwayong Kim, “Measurement and correction of (vapor+liquid) equilibria for the {2-propoxyethanol+n-hexane} and the {2-propoxyethanol +n-heptane} systems”, Journal of Chemical Thermodynamics 41, 51-55 (2009). [Link]

9. Yongjin Lee, Moon Sam Shin, and Hwayong Kim, “A new crossover sine model based on trigonometric model and its application to the Crossover Lattice equation of state”, Journal of Chemical Physics 129, 234503 (2008). [Link]

8. Yongjin Lee, Moon Sam Shin, and Hwayong Kim, “Estimation of 2nd- order derivative thermodynamic properties using the Crossover Lattice equation of state”, Journal of Chemical Thermodynamics 40, 1580-1587 (2008). [Link]

7. Yongjin Lee, Moon Sam Shin, Byoungjo Ha, and Hwayong Kim, “Application of the crossover lattice equation of state for fluid mixtures”, Journal of Chemical Thermodynamics 40, 741-749 (2008). [Link]

6. Moon Sam Shin, Yongjin Lee, and Hwayong Kim, “Estimation of second-order derivative thermodynamic properties using the crossover cubic equation of state”, Journal of Chemical Thermodynamics 40, 688-694 (2008). [Link]

5. Moon Sam Shin, Yongjin Lee, and Hwayong Kim, “A Crossover lattice equation of state for pure fluids”, Journal of Chemical Thermodynamics 40, 174-179 (2008). [Link]

4. Yongjin Lee, Moon Sam Shin, Jong-Kee Yeo, and Hwayong Kim, “A Crossover cubic equation of state near to and far from the critical region”, Journal of Chemical Thermodynamics 39, 1257-1263 (2007). [Link]

3. Jihoon Im, Gangwon Lee, Yong-Jin Lee, and Hwayong Kim, “(Vapour+liquid) equilibria of the {1,1-difluoroetane(HFC-152a)+n-butane(HC-600)} system”, Journal of Chemical Thermodynamics 39,1164-1167 (2007). [Link]

2. Jihoon Im, Gangwon Lee, Yong-Jin Lee, and Hwayong Kim, “Vapor-Liquid Equilibria of the 1,1,1-Trifluoroethane+n-Butane System”, Journal of Chemical Engineering Data 52, 391-394 (2007). [Link]

1. Keesin Jeong, Jihoon Im, Gangwon Lee, Yong-Jin Lee, and Hwayong Kim, “Vapor-Liquid Equilibria for the carbon dioxide+2,2-dichloro-1,1,1-trifluoroethane(R123) system and carbon dioxide+1-chloro-1,2,2,2-tetrafluoroethane (R124) system”, Fluid Phase Equilibria 251 63-67 (2007). [Link]