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Eunji Sim
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Understanding and reducing errors in density functional calculations
MC Kim, E Sim, K Burke
Physical review letters 111 (7), 073003, 2013
3622013
Composition‐Dependent Hot Carrier Relaxation Dynamics in Cesium Lead Halide (CsPbX3, X=Br and I) Perovskite Nanocrystals
H Chung, SI Jung, HJ Kim, W Cha, E Sim, D Kim, WK Koh, J Kim
Angewandte Chemie 129 (15), 4224-4228, 2017
1632017
Ultrathin zirconium disulfide nanodiscs
J Jang, S Jeong, J Seo, MC Kim, E Sim, Y Oh, S Nam, B Park, J Cheon
Journal of the American Chemical Society 133 (20), 7636-7639, 2011
1622011
Communication: Avoiding unbound anions in density functional calculations
MC Kim, E Sim, K Burke
The Journal of chemical physics 134 (17), 2011
1272011
Long-time quantum simulation of the primary charge separation in bacterial photosynthesis.
N Makri, E Sim, DE Makarov, M Topaler
Proceedings of the National Academy of Sciences 93 (9), 3926-3931, 1996
1251996
Filtered propagator functional for iterative dynamics of quantum dissipative systems
E Sim, N Makri
Computer physics communications 99 (2-3), 335-354, 1997
1221997
The importance of being inconsistent
A Wasserman, J Nafziger, K Jiang, MC Kim, E Sim, K Burke
Annual review of physical chemistry 68, 555-581, 2017
1212017
Ions in solution: Density corrected density functional theory (DC-DFT)
MC Kim, E Sim, K Burke
The Journal of chemical physics 140 (18), 2014
1172014
Path integral simulation of charge transfer dynamics in photosynthetic reaction centers
E Sim, N Makri
The Journal of Physical Chemistry B 101 (27), 5446-5458, 1997
1081997
Improved DFT potential energy surfaces via improved densities
MC Kim, H Park, S Son, E Sim, K Burke
The journal of physical chemistry letters 6 (19), 3802-3807, 2015
1032015
Quantifying density errors in DFT
E Sim, S Song, K Burke
The journal of physical chemistry letters 9 (22), 6385-6392, 2018
982018
Quantum dynamics for a system coupled to slow baths: On-the-fly filtered propagator method
E Sim
The Journal of Chemical Physics 115 (10), 4450-4456, 2001
942001
Density functional analysis: The theory of density-corrected DFT
S Vuckovic, S Song, J Kozlowski, E Sim, K Burke
Journal of chemical theory and computation 15 (12), 6636-6646, 2019
832019
Benchmarks and reliable DFT results for spin gaps of small ligand Fe (II) complexes
S Song, MC Kim, E Sim, A Benali, O Heinonen, K Burke
Journal of chemical theory and computation 14 (5), 2304-2311, 2018
832018
Reversible transformation of helical coils and straight rods in cylindrical assembly of elliptical macrocycles
JK Kim, E Lee, MC Kim, E Sim, M Lee
Journal of the American Chemical Society 131 (49), 17768-17770, 2009
812009
Tensor propagator with weight-selected paths for quantum dissipative dynamics with long-memory kernels
E Sim, N Makri
Chemical physics letters 249 (3-4), 224-230, 1996
801996
Biased helical folding of chiral oligoindole foldamers
VR Naidu, MC Kim, J Suk, HJ Kim, M Lee, E Sim, KS Jeong
Organic Letters 10 (23), 5373-5376, 2008
782008
Identification of droplet-flow-induced electric energy on electrolyte–insulator–semiconductor structure
J Park, S Song, YJ Yang, SH Kwon, E Sim, YS Kim
Journal of the American Chemical Society 139 (32), 10968-10971, 2017
642017
Quantum rate constants from short-time dynamics: an analytic continuation approach
E Sim, G Krilov, BJ Berne
The Journal of Physical Chemistry A 105 (12), 2824-2833, 2001
622001
Quantum time correlation functions from complex time Monte Carlo simulations: A maximum entropy approach
G Krilov, E Sim, BJ Berne
The Journal of Chemical Physics 114 (3), 1075-1088, 2001
612001
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