| 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 | 331 | 2012 |
| 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 | 200 | 2014 |
| 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 | 188 | 2020 |
| 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 | 151 | 2014 |
| 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 | 82 | 2012 |
| 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 | 78 | 2021 |
| 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 | 68 | 2013 |
| 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 | 65 | 2022 |
| 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 | 57* | 2020 |
| Enhancing ionic conductivity of bulk single-crystal yttria-stabilized zirconia by tailoring dopant distribution E Lee, FB Prinz, W Cai Physical Review B 83 (5), 052301, 2011 | 55 | 2011 |
| 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 | 44 | 2013 |
| 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 | 44 | 2013 |
| 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 | 27 | 2018 |
| 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 | 15 | 2012 |
| 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 | 13 | 2010 |
| 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 | 8 | 2017 |
| Rapidly convergent cluster expansion and application to lithium ion battery materials E Lee, H Iddir, R Benedek Physical Review B 95 (8), 085134, 2017 | 8 | 2017 |
| 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 | 8 | 2007 |
| 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 | 5 | 2017 |
| Cluster Expansion Analysis of Atomic Order in Li-Ion Battery Cathode Material LiCoyNi1−yO2 E Lee, R Benedek Journal of The Electrochemical Society 167 (13), 130524, 2020 | 3 | 2020 |
Kristin Aslaug Persson (nee Einarsdott...Department of Materials Science and Engineering, UC BerkeleyVerified email at berkeley.edu
