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Eunseok Lee
Eunseok Lee
HEI Corporate
Adresse e-mail validée de thinkhei.com - Page d'accueil
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Li absorption and intercalation in single layer graphene and few layer graphene by first principles
E Lee, KA Persson
Nano letters 12 (9), 4624-4628, 2012
3552012
Structural and Chemical Evolution of the Layered Li‐Excess LixMnO3 as a Function of Li Content from First‐Principles Calculations
E Lee, KA Persson
Advanced Energy Materials 4 (15), 1400498, 2014
2242014
Increasing the representation accuracy of quantum simulations of chemistry without extra quantum resources
T Takeshita, NC Rubin, Z Jiang, E Lee, R Babbush, JR McClean
Physical Review X 10 (1), 011004, 2020
2122020
Integrated Nano-Domains of Disordered and Ordered Spinel Phases in LiNi0.5Mn1.5O4 for Li-Ion Batteries
JH Kim, A Huq, M Chi, NPW Pieczonka, E Lee, CA Bridges, MM Tessema, ...
Chemistry of Materials 26 (15), 4377-4386, 2014
1622014
Fault-tolerant resource estimate for quantum chemical simulations: Case study on Li-ion battery electrolyte molecules
IH Kim, YH Liu, S Pallister, W Pol, S Roberts, E Lee
Physical Review Research 4 (2), 023019, 2022
1172022
Quantum computation of dominant products in lithium–sulfur batteries
JE Rice, TP Gujarati, M Motta, TY Takeshita, E Lee, JA Latone, JM Garcia
The Journal of Chemical Physics 154 (13), 2021
952021
Revealing the coupled cation interactions behind the electrochemical profile of Li x Ni 0.5 Mn 1.5 O 4
E Lee, KA Persson
Energy & Environmental Science 5 (3), 6047-6051, 2012
862012
Solid-Solution Li Intercalation as a Function of Cation Order/Disorder in the High-Voltage LixNi0.5Mn1.5O4 Spinel
E Lee, KA Persson
Chemistry of Materials 25 (14), 2885-2889, 2013
722013
Quantum simulation of electronic structure with a transcorrelated Hamiltonian: improved accuracy with a smaller footprint on the quantum computer
M Motta, TP Gujarati, JE Rice, A Kumar, C Masteran, JA Latone, E Lee, ...
Physical Chemistry Chemical Physics 22 (42), 24270-24281, 2020
672020
Enhancing ionic conductivity of bulk single-crystal yttria-stabilized zirconia by tailoring dopant distribution
E Lee, FB Prinz, W Cai
Physical Review B—Condensed Matter and Materials Physics 83 (5), 052301, 2011
562011
First-principles study of the nano-scaling effect on the electrochemical behavior in LiNi0. 5Mn1. 5O4
E Lee, KA Persson
Nanotechnology 24 (42), 424007, 2013
442013
First-principles study of the nano-scaling effect on the electrochemical behavior in LiNi0. 5Mn1. 5O4
E Lee, KA Persson
Nanotechnology 24 (42), 424007, 2013
442013
Critical impact of graphene functionalization for transition metal oxide/graphene hybrids on oxygen reduction reaction
S Grewal, A Macedo Andrade, AJ Nelson, K Thai, A Karimaghaloo, E Lee, ...
The Journal of Physical Chemistry C 122 (18), 10017-10026, 2018
272018
Ab initio kinetic Monte Carlo model of ionic conduction in bulk yttria-stabilized zirconia
E Lee, FB Prinz, W Cai
Modelling and Simulation in Materials Science and Engineering 20 (6), 065006, 2012
152012
Kinetic Monte Carlo simulations of oxygen vacancy diffusion in a solid electrolyte: Computing the electrical impedance using the fluctuation–dissipation theorem
E Lee, FB Prinz, W Cai
Electrochemistry communications 12 (2), 223-226, 2010
132010
Electronic structure calculations in a uniform magnetic field using periodic supercells
E Lee, W Cai, GA Galli
Journal of Computational Physics 226 (2), 1310-1331, 2007
102007
Interfacial chemical bonding-mediated ionic resistive switching
H Moon, V Zade, HS Kang, JW Han, E Lee, CS Hwang, MH Lee
Scientific reports 7 (1), 1264, 2017
82017
Rapidly convergent cluster expansion and application to lithium ion battery materials
E Lee, H Iddir, R Benedek
Physical Review B 95 (8), 085134, 2017
82017
Effects of mechanical strain on ionic conductivity in the interface between LiPON and Ni-Mn spinel
K Thai, E Lee
Journal of The Electrochemical Society 164 (4), A594, 2017
62017
A heuristic quantum-classical algorithm for modeling substitutionally disordered binary crystalline materials
TP Gujarati, T Takeshita, A Hintennach, E Lee
arXiv preprint arXiv:2004.00957, 2020
42020
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