Novel Advances in Computational Spectroscopy
A special issue of Applied Sciences (ISSN 2076-3417).
Deadline for manuscript submissions: 31 January 2026 | Viewed by 12
Special Issue Editors
Interests: data analysis (machine learning, computing, modelling); applied physics; spectroscopy (optical and neutron); analytical and environmental chemistry (air quality, sensors, environmental monitoring); molecular science; food science; cultural heritage
Special Issues, Collections and Topics in MDPI journals
Interests: spectroscopy (FTIR, gamma, XRF); X-ray and neutron imaging; X-ray and neutron scattering; cultural heritage; instrument development; data analysis and machine learning
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
This Special Issue focusing on recent advances in computational spectroscopy. The goal is to promote a deeper understanding of molecular properties and dynamic processes through the application of state-of-the-art computational techniques. Contributions such as original research articles and reviews on the development of novel methodological approaches based on machine learning and artificial intelligence to extract spectroscopic benchmarks across various matrices are especially encouraged. Studies exploring alternative data handling strategies and validated through analyses on real-world case studies are also welcome.
This Special Issue offers a unique opportunity to contribute to a rapidly growing field that plays a critical role in the interpretation of spectroscopic data. It provides an excellent platform for researchers to advance the evolving field of computational spectroscopy and to engage with the broader scientific community.
Dr. Claudia Scatigno
Dr. Giulia Festa
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. Applied Sciences is an international peer-reviewed open access semimonthly 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.
Keywords
- computational spectroscopy in inorganic and organic chemistry
- machine learning techniques
- artificial intelligence
- spectroscopic benchmarks
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