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Special Issue "Computational Modeling of Ionic Liquids and Solutions for Modern Applications"

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry and Chemical Physics".

Deadline for manuscript submissions: 31 January 2020.

Special Issue Editors

Prof. Dr. Gerardo Andrés Cisneros
E-Mail Website
Guest Editor
University of North Texas Department of Chemistry Denton, TX 76202, USA
Prof. Dr. Jesse McDaniel
E-Mail Website
Guest Editor
Georgia Institute of Technology, Atlanta, United States

Special Issue Information

Dear Colleagues,

Computational simulations have become an extremely useful tool and complementary partner to experimental techniques for the investigation of myriad systems. The papers in this Special Issue are focused on the development of methods and application of computational techniques for the investigation of room temperature ionic liquids and related solutions. Target applications may include traditional fields of ionic liquid research targeting, e.g., solvation, catalysis, and electrochemistry, or alternatively may encompass newer “frontier” areas of ionic liquid research, such as IL-inspired materials and nanostructures or biochemical/biological applications. Articles may describe new physical insights or propose novel extension of well-studied ionic liquids, or instead focus on the development of entirely new types/classes of ionic liquids, e.g., amino acid-based ILs. The purpose of this collection is to highlight the broad applicability of state-of-the-art computational modeling to address open questions in ionic liquid-based systems. In this regard, it is anticipated that articles will encompass a wide range of modern computational techniques, including molecular simulation, ab initio methods, machine learning, and multiscale modeling approaches.

Prof. Dr. Gerardo Andrés Cisneros
Prof. Dr. Jesse McDaniel
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • computational simulations
  • solutions
  • ionic liquids
  • electrolytes

Published Papers

This special issue is now open for submission.
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