| Deep eutectic solvents: A review of fundamentals and applications BB Hansen, S Spittle, B Chen, D Poe, Y Zhang, JM Klein, A Horton, ... Chemical reviews 121 (3), 1232-1285, 2020 | 2261 | 2020 |
| Reliable viscosity calculation from equilibrium molecular dynamics simulations: A time decomposition method Y Zhang, A Otani, EJ Maginn Journal of chemical theory and computation 11 (8), 3537-3546, 2015 | 350 | 2015 |
| Direct correlation between ionic liquid transport properties and ion pair lifetimes: A molecular dynamics study Y Zhang, EJ Maginn The journal of physical chemistry letters 6 (4), 700-705, 2015 | 264 | 2015 |
| A Simple AIMD Approach to Derive Atomic Charges for Condensed Phase Simulation of Ionic Liquids Y Zhang, EJ Maginn The Journal of Physical Chemistry B, 2012 | 237 | 2012 |
| A comparison of methods for melting point calculation using molecular dynamics simulations Y Zhang, EJ Maginn Journal of Chemical Physics 136 (14), 144116, 2012 | 214 | 2012 |
| The Electrolyte Genome project: A big data approach in battery materials discovery X Qu, A Jain, NN Rajput, L Cheng, Y Zhang, SP Ong, M Brafman, ... Computational Materials Science 103, 56-67, 2015 | 212 | 2015 |
| System-size corrections for self-diffusion coefficients calculated from molecular dynamics simulations: The case of CO2, n-alkanes, and poly (ethylene glycol) dimethyl ethers OA Moultos, Y Zhang, IN Tsimpanogiannis, IG Economou, EJ Maginn The Journal of Chemical Physics 145 (7), 2016 | 136 | 2016 |
| Liquid structure and transport properties of the deep eutectic solvent ethaline Y Zhang, D Poe, L Heroux, H Squire, BW Doherty, Z Long, M Dadmun, ... The Journal of Physical Chemistry B 124 (25), 5251-5264, 2020 | 121 | 2020 |
| The Effect of C2 Substitution on Melting Point and Liquid Phase Dynamics of Imidazolium Based-Ionic Liquids: Insights from Molecular Dynamics Simulations Y Zhang, EJ Maginn Physical Chemistry Chemical Physics, 2012 | 112 | 2012 |
| Functionalized phosphonium cations enable zinc metal reversibility in aqueous electrolytes L Ma, TP Pollard, Y Zhang, MA Schroeder, MS Ding, AV Cresce, R Sun, ... Angewandte Chemie 133 (22), 12546-12553, 2021 | 93 | 2021 |
| Water-in-salt LiTFSi aqueous electrolytes. 1. Liquid structure from combined molecular dynamics simulation and experimental studies Y Zhang, NHC Lewis, J Mars, G Wan, NJ Weadock, CJ Takacs, ... The Journal of Physical Chemistry B 125 (17), 4501-4513, 2021 | 92 | 2021 |
| Solvation Structure and Dynamics of Li+ in Ternary Ionic Liquid–Lithium Salt Electrolytes Q Huang, TC Lourenco, LT Costa, Y Zhang, EJ Maginn, B Gurkan The Journal of Physical Chemistry B 123 (2), 516-527, 2018 | 87 | 2018 |
| Evolution of microscopic heterogeneity and dynamics in choline chloride-based deep eutectic solvents S Spittle, D Poe, B Doherty, C Kolodziej, L Heroux, MA Haque, H Squire, ... Nature communications 13 (1), 219, 2022 | 86 | 2022 |
| Infrared Spectrum of the Hydrated Proton in Water J Xu, Y Zhang, GA Voth The Journal of Physical Chemistry Letters 2, 81-86, 2011 | 85 | 2011 |
| PyLAT: Python LAMMPS analysis tools MT Humbert, Y Zhang, EJ Maginn Journal of chemical information and modeling 59 (4), 1301-1305, 2019 | 82 | 2019 |
| Molecular dynamics study of the effect of alkyl chain length on melting points of [C n MIM][PF 6] ionic liquids Y Zhang, EJ Maginn Physical Chemistry Chemical Physics 16 (26), 13489-13499, 2014 | 82 | 2014 |
| A Combined Metadynamics and Umbrella Sampling Method for the Calculation of Ion Permeation Free Energy Profiles Y Zhang, GA Voth Journal of Chemical Theory and Computation, 2011 | 79 | 2011 |
| Molecular topology and local dynamics govern the viscosity of imidazolium-based ionic liquids Y Zhang, L Xue, F Khabaz, R Doerfler, EL Quitevis, R Khare, EJ Maginn The Journal of Physical Chemistry B 119 (47), 14934-14944, 2015 | 72 | 2015 |
| Time-dependent perturbation theory for vibrational energy relaxation and dephasing in peptides and proteins H Fujisaki, Y Zhang, JE Straub The Journal of chemical physics 124 (14), 2006 | 66 | 2006 |
| Signatures of ion pairing and aggregation in the vibrational spectroscopy of super-concentrated aqueous lithium bistriflimide solutions NHC Lewis, Y Zhang, B Dereka, EV Carino, EJ Maginn, A Tokmakoff The Journal of Physical Chemistry C 124 (6), 3470-3481, 2020 | 64 | 2020 |
Edward MaginnChemical Engineering, University of Notre DameVerified email at nd.edu