Eunji Sim

28PUBLICATIONS
39CO-AUTHORS
Theoretical quantum chemistryStatistical mechanics in chemistryComputational chemistryMicro-manipulationCondensed matter modelling and density functional theory
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Publications (28)

|Feb 10, 2026
Analyzing density-driven errors: Principles and pitfalls.

Sehun Kim, Do-Gyeong Lee, Gyumin Kim

|Oct 20, 2025
A dataset of chemical reaction pathways incorporating halogen chemistry.

Minhyeok Lee, Jinyoung Jeong, Islambek Ashyrmamatov

|Jan 21, 2025
Extending Density-Corrected Density Functional Theory to Large Molecular Systems.

Youngsam Kim, Mingyu Sim, Minhyeok Lee

|Jan 13, 2025
Automated and Efficient Sampling of Chemical Reaction Space.

Minhyeok Lee, Umit V Ucak, Jinyoung Jeong

|Sep 03, 2024
Active Molecular Gripper as a Macrocycle Synthesizer.

Tianyi Zheng, Linfeng Tan, Minhyeok Lee

|Aug 09, 2024
Correcting Dispersion Corrections with Density-Corrected DFT.

Minhyeok Lee, Byeongjae Kim, Mingyu Sim

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Frequent Collaborators

13 joint publications

Suhwan Song

10 joint publications

Kieron Burke

6 joint publications

Minhyeok Lee

5 joint publications

Youngsam Kim