Molecular Simulations in Materials Science
Deadline for Submission: 2017-12-31
Professor Huai Sun
School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University, Shanghai 200240, P. R. China
Research Interests: Force field methods and parameterizations; Applications of enhanced sampling techniques; Prediction of physical properties of soft matters and interfaces using molecular simulations
Special Issue Information
Although the fundamental challenge of pursuing simulation accuracy and efficiency is the same in both life sciences and materials sciences, molecular simulations in materials have special concerns because of significant diversity in the substances of interest and the broad range of thermodynamic conditions applied. Materials include many types of substances, such as fluids, polymers, liquid crystals, colloids, gels, grains, metals, alloys, semiconductors, silicates, oxides, clays, and minerals. The thermodynamic, transport, and mechanical properties of materials are strongly dependent on conditions such as material composition, temperature, and pressure. Due to these special concerns, the underlying interaction models are diverse, and new simulation methods are often required to get statistically meaningful results.
As a relatively new technology, molecular simulation is still undergoing rapid development. Over the recent decade, there have been significant advances in sampling techniques and interaction models, as well as numerous applications. This special issue focuses on the advances of molecular simulations in materials science. We invite experts from around the world to present their latest work on theory, method, interaction model, and applications in subjects related to materials. We hope that this special issue presents an overview of the current status of molecular simulations in materials science and stimulates further advances in this exciting frontier.
Manuscripts should be submitted online at http://www.whxb.pku.edu.cn/journalx_wlhx_en/authorLogOn.action. Manuscripts can be submitted until the deadline. Papers will be published continuously (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles, communications and perspectives are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office (email@example.com) for announcement on this website. Manuscripts written in English or Chinese can be accepted.
Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere. All manuscripts are refereed through a peer-review process. We do not charge any fees from authors.