Y. Kim†, M. Sim†, M. Lee, S. Kim, S. Song, K. Burke, and E. Sim*
J. Phys. Chem. Lett. 16, 939 (2025). LINKM. Lee†, U. V. Ucak†, J. Jeong, I. Ashyrmamatov, J. Lee*, and E. Sim*
Adv. Sci. 12, 2409009 (2025). LINKIn the media: Yonsei Press Yonsei News Chosun Ilbo Hankyoreh Newdaily Veritas-α UNNAsia Times Newsedu Dhinsight Emoney News Korea Lecture NewsM.-C. Kim†, S. S. Nam†, C. Lee, J. S. Park, H. Yoo, H. M. Jin*, E. Sim*, and S.-Y. Lee*
Mater. Today Chem. 43, 102486 (2025). LINKT. Zheng, L. Tan, M. Lee, Y. Li, E. Sim*, and M. Lee*
J. Am. Chem. Soc. 146, 25451 (2024). LINKM. Lee, B. Kim, M. Sim, M. Sogal, Y. Kim, H. Yu, K. Burke, and E. Sim*
J. Chem. Theory Comput. 20, 7155 (2024). LINKS. M. Han†, S. Song†, H. Yi, E. Sim*, and D. Lee*
Nanoscale 16, 4851 (2024). LINKR. Boppella, Y. Kim, K. A. J. Reddy, I. Song, Y. Eom, E. Sim*, and T. K. Kim*
Appl. Catal. B 345, 123699 (2024). LINKS. Kwak, M. Lee, E. Sim*, and S. Yunmi Lee*
Org. Chem. Front. 11, 746 (2024). LINKY. Li, M.-C. Kim, C. Xia, W. T. Hong, J. Kim, G. Bae, Y. S. Jang, S. Y. Jeong, E. Sim, C. H. Choi, T.-H. Kim, K. H. Kim*, and J. K. Kim*
Appl. Catal. B 343, 123516 (2024). LINKY. Lee, J. Kim, S. Lee, E. Sim*, and J. Hong*
Chem. Eng. J. 476, 146659 (2023). LINK[94] Density-Corrected Density Functional Theory for Open Shells: How to Deal with Spin Contamination
H. Yu, S. Song, S. Nam, K. Burke, and E. Sim*
J. Phys. Chem. Lett. 14, 9230 (2023). LINK
C. Lee†, Y. Kim†, M. Kim, H. Yoo, E. Sim*, and S.-Y. Lee*
J. Ind. Eng. Chem. 127, 438 (2023). LINKH. Yi†, S. Song†, S. M. Han, J. Lee, W. Kim, E. Sim*, and D. Lee*
Angew. Chem. Int. Ed. 62, e202302591 (2023). LINKS. Song, S. Vuckovic, Y. Kim, H. Yu, E. Sim*, and K. Burke
Nat. Commun. 14, 799 (2023). LINKFeatured article in the Editors' HighlightsIn the media: Yonsei Gallery Yonsei Press ScienceChosun Chosunpan UNNKorea Lecture News Daum Newsis Fnnews Nate News Newsedu Digital Times The-TechD. Kim, S. S. Nam, H. Jeon, Y. Cho, E. Sim, and H. Kim*
Smart Mater. Med. 4, 493 (2023). LINKD. Kim, Y. Kim, J. Oh, C. Lee, H. Lim, C. Yang*, E. Sim*, and M. Cho*
ACS Nano 16, 20758 (2022). LINKS. Choi, H. Jeon, Y. Kim, P. Kang, E. Sim*, S. Hong*, and H. Ahn*
ACS Mater. Lett. 4, 2159 (2022). LINKE. Sim*, S. Song, S. Vuckovic, and K. Burke
J. Am. Chem. Soc. 144, 6625 (2022). LINKInvited PerspectiveY. Kim, S. Song, M.-C. Kim, and E. Sim*
Bull. Korean Chem. Soc. 43, 514 (2022). LINKInvited ArticleY. Cheon, Y. Kim, M. Park, J. Oh, E. Koo, E. Sim*, and S.-Y. Ju*
Carbon 188, 305 (2022). LINKS. Song, S. Vuckovic, E. Sim*, and K. Burke
J. Chem. Theory Comput. 18, 817 (2022). LINKS. Kim, Y. Kim, J. Kim, S. Choi, K. Yun, D. Kim, S.Y. Lim, S. Kim, S.H. Chun, J. Park, I. Eom, K.S. Kim, T.-Y. Koo, Y. Ou, F. Katmis, H. Wen, A. Dichiara, D. Walko, E. Landahl, H. Cheong, E. Sim, J. Moodera, and H. Kim*
Nano Lett. 21, 8554 (2021). LINKIn the media: news1 newsis unn asiatodayH. Yi†, S.M. Han†, S. Song†, M. Kim, E. Sim*, and D. Lee*
Angew. Chem. Int. Ed. 60, 22293 (2021). LINK
In the media: Yonsei Frontier
S. Nam, R.J. McCarty, H. Park, and E. Sim*
J. Chem. Phys. 154, 124122 (2021). LINKS. Nam, E. Cho, E. Sim*, and K. Burke
J. Phys. Chem. Lett. 12, 2796 (2021). LINKS. Song, S. Vuckovic, E. Sim*, and K. Burke
J. Phys. Chem. Lett. 12, 800 (2021). LINKS. Nam, S. Song, E. Sim*, and K. Burke
J. Chem. Theory Comput. 16, 5014 (2020). LINKM.H. Naveen, R. Khan, M.A. Abbas, E. Cho, G.J. Lee, H. Kim, E. Sim*, and J.-H. Bang*
Chem. Sci. 11, 6248 (2020). LINKS. Vuckovic, S. Song, J. Kozlowski, E. Sim*, and K. Burke
J. Chem. Theory Comput. 15, 6636 (2019). LINKS.H. Lee, S. Song, J. Park, E. Sim*, J. Yang*, and D. Kim*
J. Phys. Chem. Lett. 10, 4136 (2019). LINKY. Kim, S. Song, E. Sim*, and K. Burke
J. Phys. Chem. Lett. 10, 295 (2019). LINKH. Park, Y. Kim, and E. Sim*
J. Kor. Chem. Soc. 63, 24 (2019). LINKE. Sim*, S. Song, and K. Burke*
J. Phys. Chem. Lett. 9, 6385 (2018). LINKFeatured article in the SpotlightsS. Im, E. Sim, and D. Kim*
Sci. Rep. 8, 14973 (2018). LINKS. Lee, S. Ham, S. Nam, N. Aratani, A. Osuka*, E. Sim*, and D. Kim*
J. Phys. Chem. B 122, 5121 (2018). LINKS. Song, M.-C. Kim, E. Sim*, A. Benali, O. Heinonen, and K. Burke
J. Chem. Theory Comput. 14, 2304 (2018). LINKT. Chattopadhyay*, S. Chatterjee, I. Majumder, S. Ghosh, S. Yoon, and E. Sim*
Spectrochim. Acta. A Mol. Biomol. Spectrosc. 194, 222 (2018). LINKJ. Park, S. Song, C. Shin, Y. Yang, S. Weber, E. Sim*, and Y. S. Kim*
Angew. Chem. Int. Ed. 57, 2091 (2018). LINKC. Lee, E. Sim, and D. Kim*
J. Lightwave Technol. 35, 4721 (2017). LINKJ. Park, S. Song, Y. Yang, S.-H. Kwon, E. Sim*, and Y. S. Kim*
J. Am. Chem. Soc. 139, 10968 (2017). LINKA. Wasserman*, J. Nafziger, K. Jiang, M.-C. Kim, E. Sim*, and K. Burke*
Annu. Rev. Phys. Chem. 68, 555 (2017). LINKInvited ReviewC. Lee, E. Sim, and D. Kim*
Opt. Exp. 25, 8098 (2017). LINKJ. Kwak†, S. S. Nam†, J. Cho, E. Sim*, and S.-Y. Lee*
Phys. Chem. Chem. Phys. 19, 10274 (2017). LINK2017 PCCP HOT ArticlesH. Chung, S. I. Jung, H. J. Kim, W. Cha, E. Sim, D. Kim, W.-K. Koh*, and J. Kim*
Angew. Chem. Int. Ed. 129, 4224 (2017). LINKS. Song, M. Han, and E. Sim*
Aust. J. Chem. 69, 999 (2016). LINKInvited ArticleI. Jun†, M. H. Cheng†, E. Sim†, J. Jung, B. L. Suh, Y. Kim, H. Son, K. Park, C. H. Kim, J.-H. Yoon, D. C. Whitcomb, I. Bahar, and M. G. Lee*
J. Physiol. 594, 2929 (2016). LINKEditor's ChoiceS. Ham. J.-E. Lee, S. Song, X. Peng, T. Hori, N. Aratani, A. Osuka*, E. Sim*, and D. Kim*
Phys. Chem. Chem. Phys. 18, 3871 (2016). LINKW. Kim, J. Sung, K. H. Park, H. Shimizu, M. Imamura, M. Han, E. Sim*, M. Iyoda*, and D. Kim*
J. Phys. Chem. Lett. 6, 4444 (2015). LINKM.-C. Kim, H. Park, S. Son, E. Sim*, and K. Burke
J. Phys. Chem. Lett. 6, 3802 (2015). LINKK. H. Park, P. Kim, W. Kim, H. Shimizu, M. Han, E. Sim*, M. Iyoda*, and D. Kim*
Angew. Chem. Int. Ed. 127, 12902 (2015). LINKJ. Kwak, O. Choi, E. Sim*, and S.-Y. Lee*
Analyst 140, 5354 (2015). LINKM. Han, J. Hyun, and E. Sim*
Soft Matter 11, 3714 (2015). LINK[50] Dissociation Curves of Diatomic Molecules: A DC-DFT Study
E. Sim*, M.-C. Kim, and K. Burke
AIP Conf. Proc. 1702, 090036 (2015). LINK
M.-C. Kim, E. Sim*, and K. Burke
J. Chem. Phys. 140, 18A528 (2014). LINK[48] Understanding and Reducing Errors in Density Functional Calculations
M.-C. Kim, E. Sim*, and K. Burke
Phys. Rev. Lett. 111, 073003 (2013). LINK
[47] Formation of Rigid Organic Nanotubes with Controlled Internal Cavity based on Frustrated Aggregate Internal Rearrangement Mechanism
M. Han, J. Hyun, and E. Sim*
J. Phys. Chem. B 117, 7763 (2013). LINK
[46] Surface Graft Configuration Dependency of the Morphologies of Heterosurface Sheet Polymers
M. Han and E. Sim*
J. Phys. Chem. B 116, 5771 (2012). LINK
[45] Nonmonotonic Size-Dependent Carrier Mobility in PbSe Nanocrystal Arrays
J. Lee, O. Choi, and E. Sim*
J. Phys. Chem. Lett. 3, 714 (2012). LINK
[44] Formation of Tubular Scrolls with Controlled Internal Cavity
M. Han and E. Sim*
J. Phys. Chem. B 116, 1796 (2012). LINK
[43] Influence of the Block Hydrophilicity of AB2 Miktoarm Star Copolymers on Cluster Formation in Solutions
M. Han, M. Hong, and E. Sim*
J. Chem. Phys. 134, 204901 (2011). LINK
[42] Ultrathin Zirconium Disulfide Nanodiscs
J. Jang, S. Jeong, J Seo, M.-C. Kim, E. Sim, Y. Oh, S. Nam, B. Park, and J. Cheon
J. Am. Chem. Soc. 133, 7636 (2011). LINK
[41] Avoiding Unbound Anions in Density Functional Calculations
M.-C. Kim, E. Sim*, and K. Burke
J. Chem. Phys. 134, 171103 (2011). LINK
Most Accessed Communications of J. Chem. Phys. in 2013
[40] Pathway Analysis on DNA Charge Transfer through Adenine and Guanine Bridges
H. Kim, O. Choi, and E. Sim*
J. Phys. Chem. C 114, 20394 (2010). LINK
Invited Article
[39] Degree of Coherence of Single-Component Molecular Wires: Dependence on Length, Coupling Strength, and Dissipative Medium
H. Kim and E. Sim*
J. Phys. Chem. C 114, 1312 (2010). LINK
[38] Plasmon-Enhanced Total Internal Reflection Fluorescence by Momentum Mismatched Surface Nanostructures
K. Kim, Y. Oh, K. Ma, E. Sim, and D. Kim*
Opt. Lett. 34, 3905 (2009). LINK
[37] Reversible Transformation of Helical Coils and Straight Rods in Hollow Cylindrical Assembly of Elliptical Macrocycles
J.-K. Kim, E. Lee, M.-C. Kim, E. Sim, and M. Lee*
J. Am. Chem. Soc. 131, 17768 (2009). LINK
[36] Distance Dependent Charge Transfer Mechanism in Adenine Bridging DNA Sequences
H. Kim and E. Sim*
Curr. Appl. Phys. 9, e276 (2009). LINK
Invited Article
[35] Local Structure Invariant Potential for InxGa1-xAs Semiconductor Alloys
E. Sim*, M. Han, J. Beckers, and S. de Leeuw
Bull. Korean Chem. Soc. 30, 857 (2009). LINK
[34] Biased Helical Folding of chiral Oligoindole Foldamers
V. R. Naidu, M.-C. Kim, J.-m. Suk, H.-J. Kim, M. Lee, E. Sim*, and K.-S. Jeong*
Org. Lett. 10, 5373 (2008). LINK
[33] Stepped Strips from Self-Organization of Oligo(p-phenylene) Rods with Lateral Dendritic Chains
D.-J. Hong, E. Lee, J.-K. Lee, W.-C. Zin, M. Han, E. Sim, and M. Lee*
J. Am. Chem. Soc. 130, 14448 (2008). LINK
[32] Density Functional Study on the C-H Bond Cleavage of Aldimine by a Rhodium(I) Catalyst
K. Yoo, C. Jun, C. Choi, and E. Sim*
Bull. Korean Chem. Soc. 29, 1920 (2008). LINK
[31] Coherence Length Determination of Meso-Meso Linked Porphyrin Arrays Based on Forward-Backward Pair Trajectory Analysis
M. Lee, H. Kim, D. Kim*, and E. Sim*
J. Phys. Chem. A 112, 5040 (2008). LINK
H.-J. Kim, E. Lee, M. G. Kim, M.-C. Kim, M. S. Lee*, and E. Sim*
Chem. Eur. J. 14, 3883 (2008). LINK
[29] Distance Dependent Coherence Variation in DNA Charge Transfer Processes
H. Kim and E. Sim*
J. Phys. Chem. B 112, 2557 (2008). LINK
[28] Segmented Coupled-Wave Analysis of a Curved Wire-Grid Polarizer
D. Kim* and E. Sim
J. Opt. Soc. Am. A 25, 558 (2008). LINK
[27] Monte Carlo Study of Coherent Diffuse Photon Transport in a Homogeneous Turbid Medium: A Degree-of-Coherence Based Approach
S. Y. Moon, D. Kim*, and E. Sim
Appl. Opt. 47, 336 (2008). LINK
[26] Environment Dependent Coherence of a Short DNA Charge Transfer System
H. Kim, M. Lee, and E. Sim*
Bull. Korean Chem. Soc. 28, 607 (2007). LINK
[25] Analysis of Bridge-Mediated Pathways for Long-Range Charge Transfer Systems
E. Sim* and H. Kim
J. Phys. Chem. B 110, 16803 (2006). LINK
[24] Characterization of Quantum Dynamically Significant Paths of Bridge-Mediated Charge Transfer Systems
E. Sim* and H. Kim
J. Phys. Chem. B 110, 13642 (2006). LINK
[23] Environmental Effect on the Relative Contribution of the Charge Transfer Mechanisms within a Short DNA Sequence
H. Kim and E. Sim*
J. Phys. Chem. B 110, 631 (2006). LINK
[22] Excitation Energy Transfer Rate Constants in meso-meso Linked Zn(II) Porphyrin Arrays with Energy Accepting 5,15-Bisphenylethynylated Zn(II) Porphyrin
D. Ko, H. Kim, J.-H. Park, D. Kim*, and E. Sim*
Bull. Korean Chem. Soc. 26, 1505 (2005). LINK
[21] Effect of Conformational Heterogeneity on Excitation Energy Transfer Efficiency in Directly meso-meso Linked Zn(II) Porphyrin Arrays
T. K. Ahn, Z. S. Yoon, I. W. Hwang, J. K. Lim, H. Rhee, T. Joo, E. Sim, S. K. Kim, N. Aratani, A. Osuka*, and D. Kim*
J. Phys. Chem. B 109, 11223 (2005). LINK
[20] Effect of the Donor-Bridge Energy Gap on the Electron Transfer Mechanism in Donor-Bridge-Acceptor Systems
E. Sim*
J. Phys. Chem. B 109, 11829 (2005). LINK
[19] Parameterization of an Anharmonic Kirkwood-Keating Potential for AlxGa1-xAs Alloys
E. Sim*, J. Beckers, S. W. de Leeuw, M. F. Thorpe, and M. A. Ratner
J. Chem. Phys. 122, 174702 (2005). LINK
[18] Determination of the Electron Transfer Mechanism through Decomposition of the Density Matrix
E. Sim*
J. Phys. Chem. B 108, 19093 (2004). LINK
[17] Testing the Kinetic Energy Functional: Kinetic Energy Density as a Density Functional
E. Sim, J. Larkin, K. Burke, and C. W. Bock
J. Chem. Phys. 118, 8140 (2003). LINK
[16] Effects of Grating Wall Profile on Finite Aperture Polarisation Filter
D. Kim and E. Sim*
Electron. Lett. 39, 102 (2003). LINK
[15] A New Semiempirical Approach to Study Ground and Excited States of Metal Complexes in Biological Systems
C. J. Margulis, V. Guallar, E. Sim, R. Freisner, and B. J. Berne*
J. Phys. Chem. B 106, 8038 (2002). LINK
[14] Quantum Dynamics for System Coupled to Slow Baths: On-the-Fly Filtered Propagator Method
E. Sim*
J. Chem. Phys. 115, 4450 (2001). LINK
[13] On the Bayesian Approach to Calculating Time Correlation Functions in Quantum Systems; Reaction Dynamics and Spectroscopy
G. Krilov, E. Sim, and B. J. Berne*
Chem. Phys. 268, 21 (2001). LINK
[12] Quantum Rate Constants from Short Time Dynamics: An Analytic Continuation Approach
E. Sim, G. Krilov, and B. J. Berne*
J. Phys. Chem. A 105, 2824 (2001). LINK
[11] Quantum Time Correlation Functions from Complex Time Monte Carlo Simulations: A Maximum Entropy Approach
G. Krilov, E. Sim, and B. J. Berne*
J. Chem. Phys. 114, 1075 (2001). LINK
[10] Supercooling in 2D Lennard-Jones Mixture Glass Model
E. Sim, A. Z. Patashinski, and M. A. Ratner
J. Chem. Phys. 114, 9048 (2001). LINK
[9] Molecular Dipole Chains II
E. Sim*, M. A. Ratner and S. W. de Leeuw
J. Phys. Chem. B 103, 8663 (1999). LINK
[8] Atomic Glasses: Rearrangement Processes
E. Sim, A. Z. Patashinski, and M. A. Ratner
J. Chem. Phys. 110, 6519 (1999). LINK
[7] Glass Formation and Local Disorder: Amorphization in Planar Clusters
E. Sim, A. Z. Patashinski, and M. A. Ratner
J. Chem. Phys. 109, 7901 (1998). LINK
E. Sim and N. Makri
Phys. Chem. B 101, 5446 (1997). LINKE. Sim
short contribution to A Rigourous Mathematical Foundation of Functional Integration edited by Pierre Cartier and Cecile DeWitt-Morette NATO ASI conference proceedings (1997).
[4] Filtered Propagator Functional for Iterative Dynamics of Quantum Dissipative Systems
E. Sim and N. Makri
Comput. Phys. Commun. 99, 335 (1997). LINKN. Makri, E. Sim, M. Topaler, and D. E. Makarov
Proc. Natl. Acad. Sci. U.S.A. 93, 3926 (1996). LINK
[2] Tensor Propagator with Weight-Selected Paths for Quantum Dissipative Dynamics with Long-Memory Kernels
E. Sim and N. Makri
Chem. Phys. Lett. 249, 224 (1996). LINKE. Sim and N. Makri
J. Chem. Phys. 102, 5616 (1995). LINK