발행물

전체 논문

145

21

Sparse Gaussian Process Based Machine Learning First Principles Potential for Materials Simulations:  Application to Batteries, Solar Cells, Catalysts, and Macromolecular Systems
Willow, S. Y., Hajibabaei1, A., Ha, M., Yang, D.C.M., Myung, C.W., Min, S.K., Lee, G., Kim, K.S.
Chem. Phys. Rev., 2024

22

Pressure enabled organic reactions via confinement between layers of 2D materials
Yoon, S.I., Park, H., Lee, Y., Guo, C., Kim. Y.J., Lee, J.S., Son, S., Choe, M., Han, D., Kwon, K., Lee, J., Ma, K.Y., Ghassami, A., Moon. S.W., Park, S.-Y., Kang, B.K., Kim, Y.-J., Koo, S., Genco, A., Sim, J., Tartakovskii, A.I., Duan, Y., Feng, D., Ahn, S., Sunmin, Ryu, S., Kim, J.-Y., Yang, W.S., Chhowalla, M., Park, Y.S., Min, S.K., Lee, Z., Shin, H.S.
Science Adv., 2024

23

Implications of the Edge States for the Band Structure of Armchair Graphene Nanoribbons
Filatov, M., Pomogaeva, A., Min, S.K.
Carbon Lett., 2025

24

Impact of solvation on the photoisomerisation dynamics of a photon-only rotary molecular motor
Filatov, M., Paolino, M., Kaliakin, D., Olivucci, M., Kraka, E., Min, S.K.
Comm. Phys., 2024

25

Zeolitic Imidazolate Frameworks as Solid-State Nanomachines
Nam, J., Kim, S., Jin, E., Lee, S., Cho, H.J., Min, S.K., Choe, W.
Angew. Chem. Int. Ed., 2024

26

Formulation of Transition Dipole Gradients for Non-Adiabatic Dynamics with Polaritonic States
Lee, I.S., Filatov, M., Min, S.K.
J. Chem. Phys., 2024

27

Unveiling the Energy Transfer Mechanisms in Nanographene-incorporated Metal-Organic Frameworks
Lee, J, Hwang, E., Kim, T.I., Jin, E., Cho, E., Park, Y.S., Min, S.K., Kwon, T.-H., Choe, W.
ACS Materials Lett., 2024

28

Gaussian Process Regression-Based Near-Infrared D-Luciferin Analogue Design Using Mutation-Controlled Graph-Based Genetic Algorithm
Moon, S.W., Min, S.K.
J. Chem. Info. Model., 2024

29

Extension of Molecules with an Inverted Singlet–Triplet Gap with Conjugated Branches to Alter the Oscillator Strength
Kim, H., Scholes, G.D., Min, S.K.
Phys. Chem. Chem. Phys., 2024

30

Multivariate Metal–Organic Frameworks, Ranging from a Homo-geneous, Uniform Distribution to Heterogeneous 1D, 2D, and 3D Distributions of Mixed Building Blocks
Seong, J., Jeong, S., Moon, S.W., Lee, S., Lim, J., Sharma, A., Won, S., Baek, S.B., Min, S.K., Lah, M.S.
Chem. Mater., 2024