Publications

Representative Publications

Y. An, S. Jeon, D. B. Han, and H. W. Kim*. Electronegativity-Inspired Multidimensional and Complex Representations for Modeling Chemical Environments in Materials. J. Phys. Chem. Lett., 2026, 17, 8831–8838. 

D. B. Han, K.-M. Hu, H.-T. Lim*, and H. W. Kim*. Exploring Huckel Molecular Orbital Energies through Variational and Phase Estimation Quantum Algorithms. J. Phys. Chem. Lett., 2026, 17, 2205–2212. 

S. W. Moon, S. H. Ahn, J. H. Ahn*, and H. W. Kim*. R2GB-GA: A Reaction-Regulated Graph-Based Genetic Algorithm for Exploring Synthesizable Chemical Space. JACS Au, 2026, 6, 2506–2515.

H. W. Kim and Y. M. Rhee*. Improving Long Time Behavior of Poisson Bracket Mapping Equation: A Non-Hamiltonian Approach. J. Chem. Phys., 2014, 140, 184106.

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Complete List of Publications