Advances in Molecular Simulation
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry and Chemical Physics".
Deadline for manuscript submissions: closed (30 September 2021) | Viewed by 51773
Special Issue Editor
Interests: molecular simulations; theory of fluids; interfacial phenomena; phase transitions; Janus particles; hairy nanoparticles; chromatography
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Molecular simulations play an increasingly significant role in science today. The rapid progress in computer technology has given a strong impetus to the development of many statistical–mechanical methods for modeling physical, chemical and biological processes. Among the simulation techniques, molecular dynamics and the Monte Carlo method are the most popular. The simulations provide a tool which allows for interpolation between laboratory experiments and theory, and for a deeper insight into the processes being studied when direct measurements are not possible.
We are currently observing the explosive development of simulation methods and their applications in fundamental and technological research. The latter range from the design of new smart materials, active materials, through the development of drugs and drug delivery to the fabrication of novel biomaterials for DNA sequencing, and many others.
This Special Issue collects papers devoted to the extension of novel simulation techniques and new methods for the analysis of the results. The other aim is to present applications of computer simulations to explore different phenomena with a focus on the explanation of their molecular mechanism and on the description of potential practical applications in nanotechnology, biotechnology, and medicine.
Prof. Dr. Małgorzata Borówko
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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.
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Keywords
- molecular simulation
- molecular dynamics
- Monte Carlo method
- molecular modeling
- self-assembly
- phase transitions
- nanoparticles
- supramolecular structures
- biotechnology
- nanotechnology
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Related Special Issues
- 2nd Edition: Advances in Molecular Simulation in International Journal of Molecular Sciences (16 articles)
- 3rd Edition: Advances in Molecular Simulation in International Journal of Molecular Sciences (7 articles)
- Molecular Simulation and Modeling in International Journal of Molecular Sciences (11 articles)