Computational and Theoretical Methods in Environmental Catalysis
A special issue of Catalysts (ISSN 2073-4344). This special issue belongs to the section "Computational Catalysis".
Deadline for manuscript submissions: 30 November 2024 | Viewed by 61
Special Issue Editors
2. Vice President of the Association for the International Development of Academic and Scientific Collaboration—AIDASCO, 21000 Novi Sad, Serbia
Interests: advanced oxidation processes; multivariate data analysis; computational chemistry; molecular modeling
Special Issues, Collections and Topics in MDPI journals
2. President of the Association for the International Development of Academic and Scientific Collaboration—AIDASCO, 21000 Novi Sad, Serbia
Interests: computational materials and molecular modeling; computational physics and chemistry; molecular dynamics; molecular docking
Special Issue Information
Dear Colleagues,
This Special Issue of "Computational and Theoretical Methods in Environmental Catalysis" focuses on advancing our understanding and application of computational and theoretical approaches in catalysis for environmental remediation. Specifically, it explores the utilization of advanced computational techniques to design and optimize catalysts for environmental applications, with a particular emphasis on catalytic processes aimed at mitigating environmental pollution and promoting sustainability.
Through a collection of original research articles, reviews, and perspectives, this Special Issue provides an opportunity for researchers to exchange ideas, share insights, and showcase the latest developments in the field. Topics covered include the computational modeling of catalytic mechanisms, structure–property relationships in catalytic materials, simulation of reaction kinetics and dynamics, and development of predictive models for catalyst design and optimization.
By integrating computational and theoretical methods with experimental approaches, this Special Issue aims to accelerate the discovery and development of innovative catalytic technologies for environmental protection and remediation. It serves as a valuable resource for researchers and practitioners working at the intersection of catalysis and environmental science, offering new perspectives and methodologies to address pressing environmental challenges.
We look forward to your contributions and the collective advancement of knowledge in this valuable area.
Dr. Sanja J. Armakovic
Dr. Stevan Armaković
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 submissions that pass pre-check are 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 2700 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.
Keywords
- computational chemistry/physics
- theoretical modeling
- environmental catalysis
- catalyst design
- reaction kinetics
- sustainability
- environmental remediation
- computational materials science
- catalytic mechanism
- predictive modeling
