Molecular simulation of ionic liquids: current status and future opportunities

No abstract is available for this paper.

• Publication year

  2009

• Venue

  Journal of Physics: Condensed Matter

• Publication date

  2009-08-17

• Fields of study

  Physics, Medicine, Materials Science, Chemistry

• Identifiers
  DOI 10.1088/0953-8984/21/37/373101PMID 21832331
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Influence of water on diffusion in imidazolium-based ionic liquids: a pulsed field gradient NMR study.

  2009cited by this paper
• Viscosity of a room temperature ionic liquid: predictions from nonequilibrium and equilibrium molecular dynamics simulations.

  2009cited by this paper
• Prediction of Sorption of CO2 in Glassy Atactic Polystyrene at Elevated Pressures Through a New Computational Scheme

  2009cited by this paper
• Atomistic Simulation of Ionic Liquids

  2009cited by this paper
• On the concept of ionicity in ionic liquids.

  2009cited by this paper
• Surprisingly high, bulk liquid-like mobility of silica-confined ionic liquids.

  2009cited by this paper
• Absorption of CO2 in the ionic liquid 1-n-hexyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate ([hmim][FEP]): a molecular view by computer simulations.

  2009cited by this paper
• 組成的金属‐絶縁体転移境界を含むLa1-xCaxMnO3(0.18≦x≦0.27)におけるGriffith相様の構造と巨大磁気抵抗の発達

  2009cited by this paper
• Transition Path Sampling and Other Advanced Simulation Techniques for Rare Events

  2009cited by this paper
• Organized 3D-alkyl imidazolium ionic liquids could be used to control the size of in situ generated ruthenium nanoparticles?

  2009cited by this paper
• Squeezing ionic liquids through nanopores.

  2009cited by this paper
• Molecular dynamics study of the temperature-dependent Optical Kerr effect spectra and intermolecular dynamics of room temperature ionic liquid 1-methoxyethylpyridinium dicyanoamide.

  2008cited by this paper
• Molecular force field for ionic liquids IV: trialkylimidazolium and alkoxycarbonyl-imidazolium cations; alkylsulfonate and alkylsulfate anions.

  2008cited by this paper
• Room-Temperature Ionic Liquids: Temperature Dependence of Gas Solubility Selectivity

  2008cited by this paper
• A model for self-diffusion of guanidinium-based ionic liquids: a molecular simulation study.

  2008cited by this paper
• Modeling the solubility behavior of CO(2), H(2), and Xe in [C(n)-mim][Tf(2)N] ionic liquids.

  2008cited by this paper
• Atomistic simulation of the absorption of carbon dioxide and water in the ionic liquid 1-n-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide ([hmim][Tf2N].

  2008cited by this paper
• Molecular ions of ionic liquids in the gas phase

  2008cited by this paper
• Heat Capacities and Excess Enthalpies of 1-Ethyl-3-methylimidazolium-Based Ionic Liquids and Water

  2008cited by this paper
• Determining the Accuracy of Classical Force Fields for Ionic Liquids: Atomistic Simulation of the Thermodynamic and Transport Properties of 1-Ethyl-3-methylimidazolium Ethylsulfate ([emim][EtSO4]) and Its Mixtures with Water

  2008cited by this paper
• Molecular simulation and regular solution theory modeling of pure and mixed gas absorption in the ionic liquid 1-n-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ([hmim][Tf2N]).

  2008cited by this paper
• Modelling room temperature ionic liquids.

  2008cited by this paper
• Improvement in molecule exchange efficiency in Gibbs ensemble Monte Carlo: Development and implementation of the continuous fractional component move

  2008cited by this paper
• Ionic liquids: first direct determination of their cohesive energy.

  2007cited by this paper
• Effect of pressure on transport properties of the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate.

  2007cited by this paper
• Solubility of CO2 in room temperature ionic liquid [hmim][Tf2N].

  2007cited by this paper
• The nature of ionic liquids in the gas phase.

  2007cited by this paper
• Nanostructural organization and anion effects on the temperature dependence of the optical Kerr effect spectra of ionic liquids.

  2007cited by this paper
• Continuous Fractional Component Monte Carlo:  An Adaptive Biasing Method for Open System Atomistic Simulations.

  2007cited by this paper
• Thermal Conductivities of Ionic Liquids over the Temperature Range from 293 K to 353 K

  2007cited by this paper
• Molecular dynamic simulations of ionic liquids: a reliable description of structure, thermodynamics and dynamics.

  2007cited by this paper
• Vapourisation of ionic liquids.

  2007cited by this paper
• Solvation, solute rotation and vibration relaxation, and electron-transfer reactions in room-temperature ionic liquids.

  2007cited by this paper
• Parallel developments in aprotic and protic ionic liquids: physical chemistry and applications.

  2007cited by this paper
• Refined potential model for atomistic simulations of ionic liquid [bmim][PF6].

  2007cited by this paper
• Simulations of ionic liquids, solutions, and surfaces.

  2007cited by this paper
• Computing the melting point and thermodynamic stability of the orthorhombic and monoclinic crystalline polymorphs of the ionic liquid 1-n-butyl-3-methylimidazolium chloride.

  2007cited by this paper
• Calculating the enthalpy of vaporization for ionic liquid clusters.

  2007cited by this paper
• Room-temperature ionic liquids: slow dynamics, viscosity, and the red edge effect.

  2007cited by this paper
• Understanding ionic liquids through atomistic and coarse-grained molecular dynamics simulations.

  2007cited by this paper
• Molecular solutes in ionic liquids: a structural perspective.

  2007cited by this paper
• Photoelectron spectrum of isolated ion-pairs in ionic liquid vapor.

  2007cited by this paper
• Atomistic simulation of the thermodynamic and transport properties of ionic liquids.

  2007cited by this paper
• Do we understand the volatility of ionic liquids?

  2007cited by this paper
• Neutral and charged 1-butyl-3-methylimidazolium triflate clusters: equilibrium concentration in the vapor phase and thermal properties of nanometric droplets.

  2007cited by this paper
• Nanoscale segregation in room temperature ionic liquids.

  2007cited by this paper
• Experimental vapor pressures of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imides and a correlation scheme for estimation of vaporization enthalpies of ionic liquids.

  2006cited by this paper
• Heterogeneity in a room-temperature ionic liquid: persistent local environments and the red-edge effect.

  2006cited by this paper
• The simulation of imidazolium-based ionic liquids

  2006cited by this paper
• Molecular simulation study of some thermophysical and transport properties of triazolium-based ionic liquids.

  2006cited by this paper
• Why are ionic liquids liquid? A simple explanation based on lattice and solvation energies.

  2006cited by this paper
• Solubility of carbon dioxide in aqueous solutions of methanol. Predictions by molecular simulation and comparison with experimental data.

  2006cited by this paper
• Structure and dynamics of N-methyl-N-propylpyrrolidinium bis(trifluoromethanesulfonyl)imide ionic liquid from molecular dynamics simulations.

  2006cited by this paper
• A reversible minimum-to-minimum mapping method for the calculation of free-energy differences.

  2006cited by this paper
• The distillation and volatility of ionic liquids

  2006cited by this paper
• Solubility of CO2 in the ionic liquid [hmim][Tf2N]

  2006cited by this paper
• Conflgurational bias Monte Carlo: a new sampling scheme for flexible chains

  2006cited by this paper
• Molecular modeling and experimental studies of the thermodynamic and transport properties of pyridinium-based ionic liquids.

  2006cited by this paper
• Nanostructural organization in ionic liquids.

  2006cited by this paper
• A novel united-atom force field for imidazolium-based ionic liquids.

  2006cited by this paper
• New force field for molecular simulation of guanidinium-based ionic liquids.

  2006cited by this paper
• Enhancement of oxygen and methane solubility in 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide using carbon dioxide.

  2005cited by this paper
• Unique spatial heterogeneity in ionic liquids.

  2005cited by this paper
• Simulating vapor-liquid nucleation of water: A combined histogram-reweighting and aggregation-volume-bias Monte Carlo investigation for fixed-charge and polarizable models.

  2005cited by this paper
• Physicochemical properties and structures of room temperature ionic liquids. 2. Variation of alkyl chain length in imidazolium cation.

  2005cited by this paper
• Dynamics in a room-temperature ionic liquid: a computer simulation study of 1,3-dimethylimidazolium chloride.

  2005cited by this paper
• NMR investigation of ionic liquid-LiX mixtures: pyrrolidinium cations and TFSI- anions.

  2005cited by this paper
• Physical properties and intermolecular dynamics of an ionic liquid compared with its isoelectronic neutral binary solution.

  2005cited by this paper
• Why is the partial molar volume of CO2 so small when dissolved in a room temperature ionic liquid? Structure and dynamics of CO2 dissolved in [Bmim+] [PF6(-)].

  2005cited by this paper
• Anion effects on gas solubility in ionic liquids.

  2005cited by this paper
• Monte Carlo simulations of gas solubility in the ionic liquid 1-n-butyl-3-methylimidazolium hexafluorophosphate.

  2005cited by this paper
• Solubility of CO2, CO, and H2 in the ionic liquid [bmim][PF6] from Monte Carlo simulations.

  2005cited by this paper
• Single particle dynamics in ionic liquids of 1-alkyl-3-methylimidazolium cations.

  2005cited by this paper
• On the optical properties of the imidazolium ionic liquids.

  2005cited by this paper
• Molecular dynamics study of the ionic conductivity of 1-n-butyl-3-methylimidazolium salts as ionic liquids

  2005cited by this paper
• Self-diffusion coefficients of 1-butyl-3-methylimidazolium hexafluorophosphate with pulsed-field gradient spin-echo NMR technique

  2005cited by this paper
• Molecular Dynamics Study of Polarity in Room-Temperature Ionic Liquids

  2004cited by this paper
• Structure of ionic liquids of 1-alkyl-3-methylimidazolium cations: a systematic computer simulation study.

  2004cited by this paper
• High-Pressure Phase Behavior of Carbon Dioxide with Imidazolium-Based Ionic Liquids

  2004cited by this paper
• Molecular simulation study of interactions of carbon dioxide and water with ionic liquids.

  2004cited by this paper
• Regular Solution Theory and CO2 Gas Solubility in Room-Temperature Ionic Liquids

  2004cited by this paper
• Molecular Force Field for Ionic Liquids Composed of Triflate or Bistriflylimide Anions

  2004cited by this paper
• Physicochemical Properties and Structures of Room Temperature Ionic Liquids. 1. Variation of Anionic Species

  2004cited by this paper
• A Monte Carlo simulation study of the ionic liquid 1-n-butyl-3-methylimidazolium hexafluorophosphate: liquid structure, volumetric properties and infinite dilution solution thermodynamics of CO2

  2004cited by this paper
• On the Structure and Dynamics of Ionic Liquids

  2004cited by this paper
• Why Is CO2 so soluble in imidazolium-based ionic liquids?

  2004cited by this paper
• A refined force field for molecular simulation of imidazolium-based ionic liquids

  2004cited by this paper
• Molecular Dynamics Simulation of Ionic Liquids: The Effect of Electronic Polarizability

  2004cited by this paper
• Modeling Ionic Liquids Using a Systematic All-Atom Force Field

  2004cited by this paper
• Excitation-Wavelength-Dependent Fluorescence Behavior of Some Dipolar Molecules in Room-Temperature Ionic Liquids

  2004cited by this paper
• A Simulation Study of Water−Dialkylimidazolium Ionic Liquid Mixtures

  2003cited by this paper
• Molecular Structure of Various Ionic Liquids from Gas Phase Ab Initio Calculations

  2003cited by this paper
• Why are aromatic compounds more soluble than aliphatic compounds in dimethylimidazolium ionic liquids? A simulation study

  2003cited by this paper
• Gas—liquid interfaces of room temperature ionic liquids

  2003cited by this paper
• Solvation in molecular ionic liquids

  2003cited by this paper
• A force field for liquid state simulations on room temperature molten salts: 1-Ethyl-3-methylimidazolium tetrachloroaluminate

  2002cited by this paper
• Computational Study of Room Temperature Molten Salts Composed by 1-Alkyl-3-methylimidazolium CationsForce-Field Proposal and Validation

  2002cited by this paper
• Solvation of small molecules in imidazolium ionic liquids: a simulation study

  2002cited by this paper
• Expanding the polarity range of ionic liquids

  2002cited by this paper
• Computer simulation of a green chemistry room-temperature ionic solvent

  2002cited by this paper

• Uncertainty Quantification for In Silico Chemistry.

  2026cites this paper
• Ionic Liquid-Enabled Drug Delivery Systems: Benefits, Limitations, and Future Perspectives.

  2026cites this paper
• Structural and Dynamic Properties of CO 2 in the Room-Temperature Ionic Liquid Hmim + TCΜ – as a Function of Pressure and Concentration: A Combined Experimental and Molecular Dynamics Simulation Study

  2026cites this paper
• Ab Initio Molecular Dynamics Study of Quadrupolar Spin Relaxation in an Ionic Liquid

  2026cites this paper
• QSPR modeling of the thermal properties of alkylammonium mesylates based on quantum-chemical descriptors: gas-phase vs. CPCM calculations

  2026cites this paper
• MD simulations of UCST liquid-liquid phase separations of [Hbet][Tf2N]/Water mixtures

  2026cites this paper
• Bridging AI and Carbon Capture: A Dataset for LLMs in Ionic Liquids and CBE Research

  2025cites this paper
• Review of current technologies and future trends in ionic liquid-based systems for efficient desulfurization

  2025cites this paper
• clusttraj: A Solvent-Informed Clustering Tool for Molecular Modeling

  2025cites this paper
• Cationic, anionic, and global dynamics in 1-hexyl-3-methylimidazolium halide supercooled ionic liquids studied by 1H and 35Cl magnetic resonance and oscillatory shear rheology.

  2025cites this paper
• Ionic Liquids as Multidimensional Materials: A Review from Fundamentals to Applications

  2025cites this paper
• Characterization and modeling of polyoxometalate-based ionic liquids. Force field refinement and insights into their dynamical behavior

  2025cites this paper
• Reactive Molecular Dynamics in Ionic Liquids: A Review of Simulation Techniques and Applications

  2025cites this paper
• Structure, Dynamics, and Interfacial Behavior in Ionic Liquid-Alcohol Binary Mixtures: A Molecular Dynamics Simulation Study.

  2025cites this paper
• Shear Viscosity of Short-Chain Imidazolium Ionic Liquids from Equilibrium and Nonequilibrium Molecular Dynamics: Atomistic and Coarse-Grained Levels

  2025cites this paper
• Transport mechanism of fluorosulfonylamide-based molten alkali metal salts-Intermediate temperature ionic liquids.

  2025cites this paper
• Stockmayer fluid simulations for viscosity and glass transition temperature of ionic liquids.

  2025cites this paper
• Unveiling Molecular Features Controlling the Solubility of Hydrofluorocarbons in Fluorine-Based Eutectic Solvents

  2025cites this paper
• Molecular simulation of liquid-liquid extraction of acetic acid and acetone from water in the presence of nanoparticles based on prediction of solubility parameters

  2024cites this paper
• Predicting imidazolium ionic liquid properties with a simple molecular volume-based SAFT-VR Mie approach

  2024cites this paper
• Ion correlations in quaternary ionic liquids electrolytes

  2024cites this paper
• Magnetic Ionic Liquids: Current Achievements and Future Perspectives with a Focus on Computational Approaches

  2024cites this paper
• Single Particle Dynamics at the Free Surface of Imidazolium-Based Ionic Liquids.

  2024cites this paper
• Molecular dynamics simulations of uranyl and plutonyl cations in a task-specific ionic liquid.

  2024cites this paper
• Effect of Alkyl Chain Length on the Magnitude of Dynamically Correlated Molecules and Dynamical Crossover in Alkyltriethylammonium-Based Ionic Liquids.

  2024cites this paper
• Spatial organization of the ions at the free surface of imidazolium-based ionic liquids.

  2024cites this paper
• GAFF-Based Polarizable Force Field Development and Validation for Ionic Liquids.

  2024cites this paper
• The role of surface material properties on the behavior of ionic liquids in nanoconfinement: A critical review and perspective of theory and simulations.

  2024cites this paper
• Ionic fluctuations in finite volumes: fractional noise and hyperuniformity.

  2023cites this paper
• Current status of CO2 capture with ionic liquids: Development and progress

  2023cites this paper
• Molecular modelling of the thermophysical properties of fluids: expectations, limitations, gaps and opportunities.

  2023cites this paper
• Interfacial structure of protic and aprotic ionic liquid-DMSO-Li salt mixtures near charged and neutral electrodes: A Molecular Dynamics study

  2023cites this paper
• Solubilities of CO2, CH4, C2H6, CO, H2, N2, N2O, and H2S in commercial physical solvents from Monte Carlo simulations

  2023cites this paper
• Treating Polarization Effects in Charged and Polar Bio-Molecules Through Variable Electrostatic Parameters.

  2023cites this paper
• A self-contained introduction to the statistical mechanics of ideal gases and chemical equilibrium

  2023cites this paper
• Limited ionicity in poor protic ionic liquids: Association Gibbs energies.

  2023cites this paper
• Charge transfer and polarisability in ionic liquids: a case study.

  2022cites this paper
• Vibrational Spectral Dynamics and Ion-Probe Interactions of the Hydrogen-Bonded Liquids in 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide

  2022cites this paper
• Multi-scale Computer-aided molecular design of Ionic liquid for absorption heat transformer based on Machine learning

  2022cites this paper
• The effect of various partial atomic charges on the bulk and liquid/vacuum interface properties of iodobenzene derivatives at their melting points.

  2022cites this paper
• A Molecular Dynamics Study on the Tribological Performance of Imidazolium−Based Ionic Liquids Mixed with Oil in Comparison to Pure Liquids

  2022cites this paper
• Molecular Interaction Study on a New Application of Ionic Liquids as Dissolver toward Carbonate Scale

  2022cites this paper
• Tuning force field parameters of ionic liquids using machine learning techniques

  2021cites this paper
• Excess chemical potential of thiophene in [C4MIM] [BF4, Cl, Br, CH3COO] ionic liquids, determined by molecular simulations

  2021cites this paper
• The CL&Pol polarizable force field for the simulation of ionic liquids and eutectic solvents

  2021cites this paper
• Quasi-Universal Solubility Behavior of Light Gases in Imidazolium-Based Ionic Liquids with Varying Anions: A Molecular Dynamics Simulation Study.

  2021cites this paper
• Developing design tools for introducing and tuning structural order in ionic liquids

  2021cites this paper
• Dynamical properties across different coarse-grained models for ionic liquids

  2021cites this paper
• Coarse-grained model of a nanoscale-segregated ionic liquid for simulations of low-temperature structure and dynamics

  2021cites this paper
• Structure, Molecular Interactions, and Dynamics of Aqueous [BMIM][BF4] Mixtures: A Molecular Dynamics Study.

  2021cites this paper
• Understanding Structural and Transport Properties of Dissolved Li2 S8 in Ionic Liquid Electrolytes through Molecular Dynamics Simulations.

  2021cites this paper
• Thermodynamics and Rheology of Imidazolium-Based Ionic Liquid-Oil Mixtures: A Molecular Simulation Study.

  2021cites this paper
• Fullerene C60 spectroscopy in [BMIM][PF6] ionic liquid: molecular dynamics study using polarization effects

  2021cites this paper
• A review on machine learning algorithms for the ionic liquid chemical space

  2021cites this paper
• Use ionic liquids for hollow fiber spinning

  2021cites this paper
• Regenerated Hoof Keratin from 1‐Ethyl‐3‐Methylimidazolium Acetate and Insights into Disulfide‐Ionic Liquid Interactions from MD Simulation

  2020cites this paper
• The wetting behavior of aqueous imidazolium based ionic liquids: a molecular dynamics study.

  2020cites this paper
• New insights into bulk and interface properties of [Bmim][Ac]/[Bmim][BF4] ionic liquid/CO2 systems — Molecular dynamics simulation approach

  2020cites this paper
• Accurate Diels-Alder Energies and Endo Selectivity in Ionic Liquids Using the OPLS-VSIL Force Field

  2020cites this paper
• Confining Liquids Inside Carbon Nanotubes: Accelerated Molecular Dynamics with Spliced, Soft-Core Potentials and Simulated Annealing.

  2020cites this paper
• The Effect of Concentration of Lithium Salt on the Structural and Transport Properties of Ionic Liquid-Based Electrolytes

  2020cites this paper
• Coarse-Graining Based on Pair Interactions - Studies on Transferability and Dynamic Consistency in Coarse-Grained Models of Soft Matter

  2020cites this paper
• Evidence of Direct Dissolution of CO2 Into the Ionic Liquid [C4min] [NTf2] during their Initial Interaction.

  2020cites this paper
• The physicochemical properties and structure of alkylammonium protic ionic liquids of RnH4-nNX (n = 1–3) family. A mini–review

  2020cites this paper
• Comparing the void space and long-range structure of an ionic liquid with a neutral mixture of similar sized molecules

  2020cites this paper
• Ion pair free energy surface as a probe of ionic liquid structure.

  2020cites this paper
• Physicochemical Properties of Choline Chloride-Based Deep Eutectic Solvents with Polyols: An Experimental and Theoretical Investigation

  2020cites this paper
• Solubility of Carbon Dioxide, Hydrogen Sulfide, Methane, and Nitrogen in Monoethylene Glycol; Experiments and Molecular Simulation

  2020cites this paper
• A glance on thermo-responsive ionic liquids as draw solution in forward osmosis system

  2020cites this paper
• Finite-size effects of diffusion coefficients computed from molecular dynamics: a review of what we

  2020cites this paper
• Cosolvent polarity dependence of solution structure in [BMIM] [PF6] + acetonitrile/1, 4-dioxane/hexane binary mixtures: Insights from composition dependent Voronoi polyhedra analyses, iso-surfaces and radial distribution functions

  2020cites this paper
• Stability of ionic liquid modeled by composite Coulomb-Yukawa potentials

  2020cites this paper
• Diffusivities in Binary Mixtures of [AMIM][NTf2] Ionic Liquids with the Dissolved Gases H2, He, N2, CO, CO2, or Kr Close to Infinite Dilution

  2020cites this paper
• Computational compound screening of biomolecules and soft materials by molecular simulations

  2020cites this paper
• Diffusion of ions and solvent in propylene carbonate solutions for lithium-ion battery applications

  2020cites this paper
• Finite-size effects of diffusion coefficients computed from molecular dynamics: a review of what we have learned so far

  2020cites this paper
• Insights into the Stabilization of Fluoride Ion in Ionic Liquids: Pointers to Better Fluorinating Agents.

  2020cites this paper
• Cohesiveness and Nondiffusive Rotational Jump Dynamics of Protic Ionic Liquid from Dispersion-Corrected FPMD Simulations.

  2020cites this paper
• Tuning Water Networks via Ionic Liquid/Water Mixtures

  2020cites this paper
• Martini Coarse-Grained Models of Imidazolium-Based Ionic Liquids: From Nanostructural Organization to Liquid-Liquid Extraction

  2020cites this paper
• The dynamic behavior and intrinsic mechanism of CO2 absorption by amino acid ionic liquids.

  2020cites this paper
• Molecular simulation of tunable materials: Metal-organic frameworks a ionic liquids theory a application

  2019cites this paper
• Ion transport in polymeric ionic liquids: recent developments and open questions

  2019cites this paper
• Thermodynamic, structural and dynamic properties of ionic liquids [C4mim][CF3COO], [C4mim][Br] in the condensed phase, using molecular simulations

  2019cites this paper
• Experimental Data of Fluid Phase Equilibria- Correlation and Prediction Models: A Review

  2019cites this paper
• Dissolution and Hydrolysis of Bleached Kraft Pulp Using Ionic Liquids

  2019cites this paper
• Friction and Wear Behavior of Environmentally Friendly Ionic Liquids for Sustainability of Biolubricants

  2019cites this paper
• Ionic Liquids: A Simple Model to Predict Ion Conductivity Based on DFT Derived Physical Parameters

  2019cites this paper
• Insights from molecular dynamics simulations on structural organization and diffusive dynamics of an ionic liquid at solid and vacuum interfaces.

  2019cites this paper
• Self-Consistent Scheme Combining MD and Order-N DFT Methods: An Improved Set of Nonpolarizable Force Fields for Ionic Liquids.

  2019cites this paper
• Deep eutectic solvents: A structural point of view on the role of the cation

  2019cites this paper
• Polarizable MD simulations of ionic liquids: How does additional charge transfer change the dynamics?

  2019cites this paper
• Revisiting the Liquid-Liquid Phase Behavior of n-Alkanes and Ethanol.

  2019cites this paper
• Molecular Dynamics Evaluation of Removal of Acid Gases from SNG by Ionic Liquid

  2019cites this paper
• Structural and dynamical properties of ionic liquids: a molecular dynamics study employing DL_POLY 4

  2019influential citation
• Insights into the influence of the molecular structures of fluorinated ionic liquids on their thermophysical properties. A soft-SAFT based approach.

  2019cites this paper
• Modeling of the solubility of H2S in [bmim][PF6] by molecular dynamics simulation, GA-ANFIS and empirical approaches

  2019cites this paper
• The effect of different organic solvents and anion salts on sodium ion storage in cylindrical carbon nanopores.

  2019cites this paper
• Systematic study of the influence of the molecular structure of fluorinated ionic liquids on the solubilization of atmospheric gases using a soft-SAFT based approach

  2019cites this paper
• Scalable Screening of Soft Matter: A Case Study of Mixtures of Ionic Liquids and Organic Solvents.

  2019cites this paper