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Journal of Molecular Modeling|March 30, 2016
Investigation of the effect of erythrosine B on amyloid beta peptide using molecular modelingJuho Lee, Inchan Kwon, Seung Soon Jang, et al.
The Journal of Physical Chemistry. B|January 26, 2007
Mechanical and transport properties of the poly(ethylene oxide)-poly(acrylic acid) double network hydrogel from molecular dynamic simulationsSeung Soon Jang, William A Goddard, M Yashar S Kalani
ACS Applied Materials & Interfaces|July 2, 2024
Unveiling Competitive Adsorption in TiO2 Photocatalysis through Machine-Learning-Accelerated Molecular Dynamics, DFT, and Experimental MethodsOmar Allam, Mostafa Maghsoodi, Seung Soon Jang, et al.
RSC Advances|May 13, 2022
Application of DFT-based machine learning for developing molecular electrode materials in Li-ion batteriesOmar Allam, Byung Woo Cho, Ki Chul Kim, et al.
JACS Au|October 31, 2022
Catalytically Active Multicompartment MicellesEman Ahmed, Jinwon Cho, Lulu Friedmann, et al.
Physical Chemistry Chemical Physics : PCCP|July 15, 2016
Thermodynamic and redox properties of graphene oxides for lithium-ion battery applications: a first principles density functional theory modeling approachSunghee Kim, Ki Chul Kim, Seung Woo Lee, et al.
Journal of the American Chemical Society|January 30, 2016
First-Principles Density Functional Theory Modeling of Li Binding: Thermodynamics and Redox Properties of Quinone Derivatives for Lithium-Ion BatteriesKi Chul Kim, Tianyuan Liu, Seung Woo Lee, et al.
Environmental Science & Technology|January 21, 2015
Interaction of C₆₀ with water: first-principles modeling and environmental implicationsJi Il Choi, Samuel D Snow, Jae-Hong Kim, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|June 22, 2018
Density Functional Theory - Machine Learning Approach to Analyze the Bandgap of Elemental Halide Perovskites and Ruddlesden-Popper PhasesOmar Allam, Colin Holmes, Zev Greenberg, et al.
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