Application of Computational Techniques in Analytical Chemistry and Molecular Systems
A special issue of Processes (ISSN 2227-9717). This special issue belongs to the section "Chemical Processes and Systems".
Deadline for manuscript submissions: 30 September 2024 | Viewed by 104
Special Issue Editor
Interests: molecular dynamics simulations; DFT; carbon dots; CO2 reduction
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
In the dynamic landscape of analytical chemistry and molecular systems research, the integration of computational techniques has ushered in a new era of innovation and discovery. Computational modeling provides detailed information on electronic structures and serves as a tool to understand how electronic structures respond to photons, which reflect the macroscopic properties of molecular systems. These properties can lead to various application fields, such as solar cells and catalysts. We invite researchers and experts from across the globe to contribute their insights and findings to a Special Issue dedicated to the "Application of Computational Techniques in Analytical Chemistry and Molecular Systems."
The aim of this Special Issue is to provide a platform for the exchange of knowledge, ideas, and breakthroughs at the intersection of computational science and analytical chemistry. We seek abstract submissions that encompass a wide spectrum of topics, including but not limited to the following:
- Molecular modeling and simulations for drug discovery and development.
- Computational methods for the analysis of complex biomolecular systems.
- Machine learning and artificial intelligence applications in analytical chemistry.
- Quantum chemistry approaches to elucidate molecular behavior.
- Big data analytics for high-throughput chemical analysis.
- Computational advances in spectroscopy and mass spectrometry.
- Chemoinformatics and bioinformatics in chemical analysis.
- Computational methods for material characterization and nanotechnology.
- Predictive modeling and data-driven approaches in analytical instrumentation.
- Innovative software tools and algorithms for analytical chemistry.
Dr. Xue Yong
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 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. Processes 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 2400 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.
