Special Issue "Feature Papers to Celebrate "Computational Catalysis"—Trends and Outlook"

A special issue of Catalysts (ISSN 2073-4344). This special issue belongs to the section "Computational Catalysis".

Deadline for manuscript submissions: 31 December 2019.

Special Issue Editor

Guest Editor
Prof. Dr. C. Heath Turner Website E-Mail
Department of Chemical and Biological Engineering, The University of Alabama, Box 870203, Tuscaloosa, Alabama 35487, USA
Phone: 205-348-1733
Interests: computational catalysis; DFT calculations; kinetic Monte Carlo simulations; electrocatalysis; adsorption; porous materials; interfacial catalysis; nanoparticle synthesis; polymeric membranes; separations

Special Issue Information

Dear Colleagues,

As section editor-in-chief of Computational Catalysis in Catalysts, to celebrate the establishment of this new section, I am pleased to announce a Special Issue entitled “Feature Papers to Celebrate ‘Computational Catalysis’—Trends and Outlooks”.

This Special Issue will collect both original research articles and reviews on various aspects of the computational methods and applications for predicting and understanding catalytic processes. Potential topics include, but are not limited to, the following items:

  • Electronic structure calculations for analyzing reaction mechanisms
  • Hybrid and multi-scale simulation methods for extending computational time and length scales
  • Computational approaches that incorporate non-ideal effects (solvation, defects, correlation, etc.)
  • Development of new data-driven approaches within the field of computational catalysis
  • Computational approaches for analyzing enzymatic and biochemical catalytic processes
  • Industrial applications and direct experimental benchmarking of computational catalysis techniques

Prof. Dr. C. Heath Turner
Guest Editor

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. Catalysts is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1600 CHF (Swiss Francs). 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.

Published Papers

This special issue is now open for submission.
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