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Molecular Characterizations and Simulations of Construction Materials

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Materials Science".

Deadline for manuscript submissions: 15 August 2024 | Viewed by 535

Special Issue Editors

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Guest Editor
Faculty of Civil Engineering and Geosciences, Delft University of Technology, Stevinweg, 2628 CN Delft, The Netherlands
Interests: molecular dynamics simulations; construction materials chemistry; adhesion and interface chemistry; bituminous materials
Special Issues, Collections and Topics in MDPI journals

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Co-Guest Editor
SuPAR Research Group, University of Antwerp, Groenenborgerlaan 171, Antwerp, Belgium
Interests: ageing; bitumen; asphalt; material characterization; spectroscopy; rheology; microscopy; constitutive modelling; polymers; antioxidants

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Co-Guest Editor
Engineering Structures, Delft University of Technology, 2628CN Delft, The Netherlands
Interests: chemomechanics; rheology; pavement materials; porous pavements; bitumen; moisture damage; oxidative ageing; freeze-thaw
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The intricate interplay between diverse material sources and an array of environmental factors underscores the need to create construction materials with enhanced durability. Nonetheless, conventional mechanical assessments applied to construction edifices reveal inherent deficiencies in comprehending the fundamental mechanisms governing material behaviors and devising innovative multifunctional materials. In contemporary times, the concept of a multiscale evaluation framework has gained considerable traction, facilitating a comprehensive appraisal of material performance spanning the nanoscale, mesoscale, and macroscale domains. Notably, the realm of molecular-scale characterizations and simulations has progressively assumed a pivotal role in the evaluation and advancement of construction materials.

This Special Issue serves as a conduit for amassing current cutting-edge research centered around the bedrock of molecular-level experimental revelations and outputs from atomic-level simulations, encompassing a diverse spectrum of construction materials, including, but not limited to, asphalt, concrete, steel, geopolymer, and bio-based masses. Studies elucidating the evolution of construction materials throughout their entire service life, encompassing phenomena such as aging, deterioration, and avenues for performance enhancement or rejuvenation stand as a cornerstone of this collection. The overarching objective resides in facilitating a nuanced understanding through a comparative analysis of molecular-scale evaluations and simulations across a gamut of construction materials. This collective endeavor is poised to propel the evolution of a robust multiscale evaluation framework, thereby ushering in a new epoch in the realm of construction materials.

Dr. Shisong Ren
Dr. Georgios Pipintakos
Dr. Katerina Varveri
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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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.


  • construction materials
  • molecular characterization
  • molecular simulation
  • multiscale performance evaluation
  • fundamental analysis

Published Papers

This special issue is now open for submission.
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