Anomalous diffusion of lithium-anion clusters in ionic liquids

Dynamic Heterogeneity of Solvent Motion and Ion Transport in Concentrated Electrolytes

(2023) Chao Fang et al.   Journal of Physical Chemistry B

Li+ Transport in Ethylene Carbonate Based Comb-Branched Solid Polymer Electrolyte: A Molecular Dynamics Simulation Study

(2022) Aditya Choudhary et al.   ACS Applied Polymer Materials

Correlated Ion Transport and the Gel Phase in Room Temperature Ionic Liquids

(2021) Michael McEldrew et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Spectral Denoising for Accelerated Analysis of Correlated Ionic Transport

(2021) Nicola Molinari et al.   PHYSICAL REVIEW LETTERS

Salt-in-Ionic-Liquid Electrolytes: Ion Network Formation and Negative Effective Charges of Alkali Metal Cations

(2021) Michael McEldrew et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Unveiling the predictive power of static structure in glassy systems

(2020) V. Bapst et al.   Nature Physics

Theory of ion aggregation and gelation in super-concentrated electrolytes

(2020) Michael McEldrew et al.   JOURNAL OF CHEMICAL PHYSICS

General Trend of a Negative Li Effective Charge in Ionic Liquid Electrolytes

(2019) Nicola Molinari et al.   Journal of Physical Chemistry Letters

Free and Bound States of Ions in Ionic Liquids, Conductivity, and Underscreening Paradox

(2019) Guang Feng et al.   Physical Review X

Unsupervised landmark analysis for jump detection in molecular dynamics simulations

(2019) Leonid Kahle et al.   PHYSICAL REVIEW MATERIALS

Transport anomalies emerging from strong correlation in ionic liquid electrolytes

(2019) Nicola Molinari et al.   JOURNAL OF POWER SOURCES

Charge Transport in [Li(tetraglyme)][bis(trifluoromethane) sulfonimide] Solvate Ionic Liquids: Insight from Molecular Dynamics Simulations

(2018) Dengpan Dong et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A comparison of classical interatomic potentials applied to highly concentrated aqueous lithium chloride solutions

(2017) Ildikó Pethes   JOURNAL OF MOLECULAR LIQUIDS

The influence of cations on lithium ion coordination and transport in ionic liquid electrolytes: a MD simulation study

(2016) Volker Lesch et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Effect of Organic Solvents on Li+ Ion Solvation and Transport in Ionic Liquid Electrolytes: A Molecular Dynamics Simulation Study

(2015) Zhe Li et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Computational and Experimental Investigation of Li-Doped Ionic Liquid Electrolytes: [pyr14][TFSI], [pyr13][FSI], and [EMIM][BF4]

(2014) Justin B. Haskins et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Dynamics Simulations and Experimental Study of Lithium Ion Transport in Dilithium Ethylene Dicarbonate

(2013) Oleg Borodin et al.   Journal of Physical Chemistry C

Electrolyte Solvation and Ionic Association III. Acetonitrile-Lithium Salt Mixtures–Transport Properties

(2013) Daniel M. Seo et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Li+ Solvation and Transport Properties in Ionic Liquid/Lithium Salt Mixtures: A Molecular Dynamics Simulation Study

(2012) Zhe Li et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Comparing reduced partial charge models with polarizable simulations of ionic liquids

(2012) Christian Schröder   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

PACKMOL: A package for building initial configurations for molecular dynamics simulations

(2009) L. Martínez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Polarizable Force Field Development and Molecular Dynamics Simulations of Ionic Liquids

(2009) Oleg Borodin   JOURNAL OF PHYSICAL CHEMISTRY B