Special Issue "Computational Insights into Industrial Chemistry"

A special issue of Computation (ISSN 2079-3197). This special issue belongs to the section "Computational Chemistry".

Deadline for manuscript submissions: 31 January 2021.

Special Issue Editor

Dr. Alexander S. Novikov
Website
Guest Editor
Institute of Chemistry, Saint Petersburg State University, Saint Petersburg, Russia
Interests: quantum chemistry, computational chemistry, computer modeling, noncovalent interactions, reaction mechanisms
Special Issues and Collections in MDPI journals

Special Issue Information

Dear Colleagues,

The aim of this Special Issue of Computation, entitled “Computational Insights into Industrial Chemistry”, is to cover the most recent progress in the rapidly growing field of computational chemistry. This Special Issue will address the following topics:

  • Modeling of the current and promising chemical industrial processes and materials to improve sustainability;
  • Molecular level of understanding of the environmental effects caused by chemical industry activities;
  • Computer-aided molecular design of new materials or catalysts for the circular economy;
  • Condensed phase simulation of the green chemistry and promising advanced materials;
  • Quantum chemical understanding and design of reactions for the future chemical industry.

Both fundamental and applied research is welcome.

Dr. Alexander S. Novikov
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. Computation is an international peer-reviewed open access quarterly 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 1000 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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