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LINCS: A linear constraint solver for molecular simulations
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September 1997 |
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Boosting the Optimization of Lithium Metal Batteries by Molecular Dynamics Simulations: A Perspective
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September 2020 |
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Transport phenomena in electrolyte solutions: Nonequilibrium thermodynamics and statistical mechanics
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November 2020 |
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Dynamic Ion Correlations in Solid and Liquid Electrolytes: How Do They Affect Charge and Mass Transport?
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November 2019 |
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The Transference Number
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April 2022 |
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Understanding Segmental Dynamics in Polymer Electrolytes: A Computer Study
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October 2007 |
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Li + Transport Mechanism in Oligo(Ethylene Oxide)s Compared to Carbonates
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April 2007 |
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Diffusion and migration in polymer electrolytes
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April 2020 |
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GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
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September 2015 |
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Establishing a unified framework for ion solvation and transport in liquid and solid electrolytes
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October 2021 |
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Modifying Li + and Anion Diffusivities in Polyacetal Electrolytes: A Pulsed-Field-Gradient NMR Study of Ion Self-Diffusion
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June 2021 |
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Effect of Salt Concentration on Ion Clustering and Transport in Polymer Solid Electrolytes: A Molecular Dynamics Study of PEO–LiTFSI
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August 2018 |
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Effect of Chemical Variations in the Structure of Poly(ethylene oxide)-Based Polymers on Lithium Transport in Concentrated Electrolytes
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November 2019 |
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Microstructural and Dynamical Heterogeneities in Ionic Liquids
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April 2020 |
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Chelation-Induced Reversal of Negative Cation Transference Number in Ionic Liquid Electrolytes
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March 2020 |
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Correlation Length in Concentrated Electrolytes: Insights from All-Atom Molecular Dynamics Simulations
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February 2020 |
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Enhancing Cation Diffusion and Suppressing Anion Diffusion via Lewis-Acidic Polymer Electrolytes
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January 2017 |
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Salt Activity Coefficient and Chain Statistics in Poly(ethylene oxide)-Based Electrolytes
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March 2021 |
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Onsager Transport Coefficients and Transference Numbers in Polyelectrolyte Solutions and Polymerized Ionic Liquids
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October 2020 |
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Role of Molecular Architecture on Ion Transport in Ethylene oxide-Based Polymer Electrolytes
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February 2021 |
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Ion Correlations and Their Impact on Transport in Polymer-Based Electrolytes
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February 2021 |
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Toward Bottom-Up Understanding of Transport in Concentrated Battery Electrolytes
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June 2022 |
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Systematic Computational and Experimental Investigation of Lithium-Ion Transport Mechanisms in Polyester-Based Polymer Electrolytes
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July 2015 |
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Globally Suppressed Dynamics in Ion-Doped Polymers
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May 2018 |
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Effect of Polymer Polarity on Ion Transport: A Competition between Ion Aggregation and Polymer Segmental Dynamics
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September 2018 |
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Transference Number in Polymer Electrolytes: Mind the Reference-Frame Gap
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April 2022 |
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Elucidating the Molecular Origins of the Transference Number in Battery Electrolytes Using Computer Simulations
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February 2023 |
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Molecular Dynamics Simulations of Multicomponent Diffusion. 2. Nonequilibrium Method
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November 2004 |
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Molecular Dynamics Simulations of Multicomponent Diffusion. 1. Equilibrium Method
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November 2004 |
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Chelate Effects in Glyme/Lithium Bis(trifluoromethanesulfonyl)amide Solvate Ionic Liquids. I. Stability of Solvate Cations and Correlation with Electrolyte Properties
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May 2014 |
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Connectivity-Altering Monte Carlo Simulations of the End Group Effects on Volumetric Properties for Poly(ethylene oxide)
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September 2004 |
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Computational Investigation on the Role of Plasticizers on Ion Conductivity in Poly(ethylene oxide) LiTFSI Electrolytes
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April 2010 |
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Difference between approximate and rigorously measured transference numbers in fluorinated electrolytes
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January 2019 |
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Solvate ionic liquids based on lithium bis(trifluoromethanesulfonyl)imide–glyme systems: coordination in MD simulations with scaled charges
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January 2020 |
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Relaxation in glassforming liquids and amorphous solids
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September 2000 |
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Canonical sampling through velocity rescaling
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January 2007 |
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Molecular dynamics with coupling to an external bath
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October 1984 |
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Particle mesh Ewald: An N ⋅log( N ) method for Ewald sums in large systems
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June 1993 |
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Understanding fast-ion conduction in solid electrolytes
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October 2021 |
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Reciprocal Relations in Irreversible Processes. I.
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February 1931 |
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Reciprocal Relations in Irreversible Processes. II.
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December 1931 |
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Correlations from Ion Pairing and the Nernst-Einstein Equation
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April 2019 |
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Electric-Field-Induced Spatially Dynamic Heterogeneity of Solvent Motion and Cation Transference in Electrolytes
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May 2022 |
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S PATIALLY H ETEROGENEOUS D YNAMICS IN S UPERCOOLED L IQUIDS
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October 2000 |
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Concentration Polarization of a Polymer Electrolyte
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January 2002 |
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The Measurement of a Complete Set of Transport Properties for a Concentrated Solid Polymer Electrolyte Solution
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January 1995 |
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Impact of Frictional Interactions on Conductivity, Diffusion, and Transference Number in Ether- and Perfluoroether-Based Electrolytes
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September 2020 |
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Negative Transference Numbers in Poly(ethylene oxide)-Based Electrolytes
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January 2017 |
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Theoretical Interpretation of Ion Velocities in Concentrated Electrolytes Measured by Electrophoretic NMR
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January 2019 |
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Negative Stefan-Maxwell Diffusion Coefficients and Complete Electrochemical Transport Characterization of Homopolymer and Block Copolymer Electrolytes
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January 2018 |
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Li + Transference Numbers in Liquid Electrolytes Obtained by Very-Low-Frequency Impedance Spectroscopy at Variable Electrode Distances
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January 2016 |