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Quantification of sampling uncertainty for molecular dynamics simulation: Time-dependent diffusion coefficient in simple fluids

Publication: Journal Article

Kim, C., O. Borodin, and G.E. Karniadakis. 2015. “Quantification of Sampling Uncertainty for Molecular Dynamics Simulation: Time-Dependent Diffusion Coefficient in Simple Fluids”. J. Comput. Phys 302: 485.

Time correlation functions of Brownian motion and evaluation of friction coefficient in the near-Brownian-limit regime

Publication: Journal Article

Kim, C., and G.E. Karniadakis. 2014. “Time Correlation Functions of Brownian Motion and Evaluation of Friction Coefficient in the Near-Brownian-Limit Regime”. Multiscale Model. Simul. 12: 225.

PROFiT-Net: Property-networking deep learning model for materials

Publication: Journal Article

Kim, Se-Jun, Won June Kim, Changho Kim, Eok Kyun Lee, and Hyungjun Kim. 2024. “PROFiT-Net: Property-Networking Deep Learning Model for Materials”. J. Am. Chem. Soc. 146: 26000−26007.

D2R2 for math circles

Publication: Magazine Article

Lei, Yue, Francois Blanchette, and Changho Kim. 2025. “D2R2 for Math Circles”. Math Circular, 2025.

Toward a realistic model of diffusion-limited aggregation: Rotation, size-dependent diffusivities, and settling

Publication: Journal Article

Polimeno, M., C. Kim, and F. Blanchette. 2022. “Toward a Realistic Model of Diffusion-Limited Aggregation: Rotation, Size-Dependent Diffusivities, and Settling”. ACS Omega 7: 40826-35.

General validity of the second fluctuation-dissipation theorem in the nonequilibrium steady state: Theory and applications

Publication: Journal Article

Zhu, Y., H. Lei, and C. Kim. 2023. “General Validity of the Second Fluctuation-Dissipation Theorem in the Nonequilibrium Steady State: Theory and Applications”. Phys. Scr. 98: 115402.

Projection method for the fluctuating hydrodynamics equations

Publication: Journal Article

Mancini, Marc, Maxime Theillard, and Changho Kim. 2022. “Projection Method for the Fluctuating Hydrodynamics Equations”. J. Comput. Phys. 463: 111288.

Water slippage on graphitic and metallic surfaces: Impact of surface packing structure and electron density tail

Publication: Journal Article

Cho, K.J., S. Gim, H.-K. Lim, C. Kim, and H. Kim. 2020. “Water Slippage on Graphitic and Metallic Surfaces: Impact of Surface Packing Structure and Electron Density Tail”. J. Phys. Chem. C 124: 11392.

Nature of intrinsic uncertainties in equilibrium molecular dynamics estimation of shear viscosity for simple and complex fluids

Publication: Journal Article

Kim, K.-S., M.H. Han, C. Kim, Z. Li, G.E. Karniadakis, and E.K. Lee. 2018. “Nature of Intrinsic Uncertainties in Equilibrium Molecular Dynamics Estimation of Shear Viscosity for Simple and Complex Fluids”. J. Chem. Phys 149: 044510.

Numerical method for solving stochastic differential equations with dichotomous noise.

Publication: Journal Article

Kim, C., E.K. Lee, and P. Talkner. 2006. “Numerical Method for Solving Stochastic Differential Equations With Dichotomous Noise.”. Phys. Rev. E 73: 026101.