Topological Quantities Determining the Folding/Unfolding Rate of Two-state Folding Proteins
Jung, Jaewoon, Buglass, Alan J., Lee, Eok-Kyun
Published in Journal of solution chemistry (01.07.2010)
Published in Journal of solution chemistry (01.07.2010)
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Journal Article
Cluster Expansion Method for Simulating Realistic Size of Nanoparticle Catalysts with an Application in CO2 Electroreduction
Eom, Taedaehyeong, Kim, Won June, Lim, Hyung-Kyu, Han, Myung Hoon, Han, Kyeong Hwan, Lee, Eok-Kyun, Lebègue, Sébastien, Hwang, Yun Jeong, Min, Byoung Koun, Kim, Hyungjun
Published in Journal of physical chemistry. C (26.04.2018)
Published in Journal of physical chemistry. C (26.04.2018)
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Journal Article
Molecular hydrodynamics: Vortex formation and sound wave propagation
Han, Kyeong Hwan, Kim, Changho, Talkner, Peter, Karniadakis, George Em, Lee, Eok Kyun
Published in The Journal of chemical physics (14.01.2018)
Published in The Journal of chemical physics (14.01.2018)
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Journal Article
Melting behaviors of icosahedral metal clusters studied by Monte Carlo simulations
Lee, Young Joo, Maeng, Jae Yeol, Lee, Eok-Kyun, Kim, Bongsoo, Kim, Sehun, Han, Kyu-Kwang
Published in Journal of computational chemistry (15.04.2000)
Published in Journal of computational chemistry (15.04.2000)
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Journal Article
First-Principles Studies on Twinnability of Magnesium Alloys: Effects of Yttrium and Lithium on ( 101̄1)[1̄012] Compression Twinning Deformation Processes
Won June Kim, Kyeong Hwan Han, Young Joo Lee, Hyungjun Kim, Eok Kyun Lee
Published in Metals and materials international (01.07.2018)
Published in Metals and materials international (01.07.2018)
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Journal Article
Effects of nonmagnetic impurities on the spin transport property of a graphene nanoribbon device
Park, Joonho, Yang, Heok, Park, K-S, Lee, Eok-Kyun
Published in The Journal of chemical physics (07.06.2009)
Published in The Journal of chemical physics (07.06.2009)
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Journal Article
PROFiT-Net: Property-Networking Deep Learning Model for Materials
Kim, Se-Jun, Kim, Won June, Kim, Changho, Lee, Eok Kyun, Kim, Hyungjun
Published in Journal of the American Chemical Society (12.09.2024)
Published in Journal of the American Chemical Society (12.09.2024)
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Journal Article
uMBD: A Materials-Ready Dispersion Correction That Uniformly Treats Metallic, Ionic, and van der Waals Bonding
Kim, Minho, Kim, Won June, Gould, Timothy, Lee, Eok Kyun, Lebègue, Sébastien, Kim, Hyungjun
Published in Journal of the American Chemical Society (05.02.2020)
Published in Journal of the American Chemical Society (05.02.2020)
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Journal Article
Tuned Chemical Bonding Ability of Au at Grain Boundaries for Enhanced Electrochemical CO2 Reduction
Kim, Kang-Sahn, Kim, Won June, Lim, Hyung-Kyu, Lee, Eok Kyun, Kim, Hyungjun
Published in ACS catalysis (01.07.2016)
Published in ACS catalysis (01.07.2016)
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Journal Article
MolNet_Equi: A Chemically Intuitive, Rotation-Equivariant Graph Neural Network
Kim, Jihoo, Jeong, Yoonho, Kim, Won June, Lee, Eok Kyun, Choi, Insung S
Published in Chemistry, an Asian journal (02.01.2024)
Published in Chemistry, an Asian journal (02.01.2024)
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Journal Article
Brownian motion from molecular dynamics
Shin, Hyun Kyung, Kim, Changho, Talkner, Peter, Lee, Eok Kyun
Published in Chemical physics (05.10.2010)
Published in Chemical physics (05.10.2010)
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Journal Article
MolNet: A Chemically Intuitive Graph Neural Network for Prediction of Molecular Properties
Kim, Yeji, Jeong, Yoonho, Kim, Jihoo, Lee, Eok Kyun, Kim, Won June, Choi, Insung S.
Published in Chemistry, an Asian journal (15.08.2022)
Published in Chemistry, an Asian journal (15.08.2022)
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Journal Article
Nature of intrinsic uncertainties in equilibrium molecular dynamics estimation of shear viscosity for simple and complex fluids
Kim, Kang-Sahn, Han, Myung Hoon, Kim, Changho, Li, Zhen, Karniadakis, George Em, Lee, Eok Kyun
Published in The Journal of chemical physics (28.07.2018)
Published in The Journal of chemical physics (28.07.2018)
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Journal Article
Universal melting behaviour of clusters
Lee, Young Joo, Nieminen, R.M., Lee, Eok-Kyun, Kim, S.
Published in Computer physics communications (15.12.2001)
Published in Computer physics communications (15.12.2001)
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Journal Article
Conference Proceeding