Design of New Material through Advanced Theoretical Approach and Experimental Technique
A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Materials Simulation and Design".
Deadline for manuscript submissions: closed (20 June 2022) | Viewed by 2678
Special Issue Editor
Interests: density functional theory calculation; molecular dynamics simulation; monte carlo simulation; multi-scale modeling; high-throughput calculation; machine learning; neutron scattering; synchrotron x-ray scattering; scanning tunneling microscope; transmission electron microscopy
Special Issue Information
Dear Colleagues,
New materials with desired properties are the material basis for the development of high-end manufacturing and the forerunner of high-tech development. The application of key technologies in material design transforms from traditionally trial-and-error R&D model into a new model that involves parallel association in the whole process, completely accelerating the entire process of material discovery, development, production and eventually promotes the engineering application.
Of particular significance is the possibility of using machine learning assisted high-throughput calculations and multi-scale simulations, along with electron tunneling and neutron scattering techniques to investigate and discover new materials with desired structural and electronic properties for technological innovation.
In this Special Issue, modern trends of advanced theoretical approach and experimental technique, including density functional theory calculation, molecular dynamics simulation, monte carlo simulation, multi-scale modeling, high-throughput calculation, machine learning, neutron scattering, synchrotron x-ray scattering, scanning tunneling microscope, transmission electron microscopy, etc., are highlighted and discussed.
It is my pleasure to invite you to submit a manuscript for this Special Issue. Full papers, communications, and reviews are all welcome.
Prof. Dr. Hui Wang
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. Materials 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 2600 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
- density functional theory calculation
- molecular dynamics simulation
- monte carlo simulation
- multi-scale modeling
- high-throughput calculation
- machine learning
- neutron scattering
- synchrotron x-ray scattering
- scanning tunneling microscope
- transmission electron microscopy
