EPJ ST Special Issue: Methodological Developments in Molecular Sciences for Materials Design and Synthesis

Details

Published on 19 September 2025

Guest Editors: Lakshmi Praveen, Suresh Sagadevan, Prasat Kittakoop, Chinna Bathula

Methodological developments in molecular sciences are dynamic that are addressing various challenges in materials design and synthesis. The advances include computational methods like molecular modeling and machine learning, along with state-of-the-art experimental approaches. These developments enable researchers to predict and analyze the material behavior at molecular level for meeting the design and synthetic procedures.

A wide variety of materials for physicochemical, biological, electrical, thermal, mechanical, biomedical, optoelectronic, and optical applications are abundantly available till date. Still, unified and better methods are in huge demand for multi-materials with multi- functionalities. Research that focuses on these aspects has laid an essential route to facilitate the molecular sciences for materials design and synthesis. Further, some research spotlights are essential on perceptive elemental phenomena to permit the manufacturing processes at industrial scale to achieve superior material properties and performances.

Therefore, the core interest of this topical issue is to address and explore the methodological developments that enrich the molecular sciences for materials design and synthesis. Further, the molecular dynamics of metals, various types of polymers, crystals, ceramics, composites, liquid crystals, gels, multiferroics, molecular machines, molecular receptors, various nanomaterials, fullerene crystals, self-assembled monolayers, thin-films, 2D materials, etc. are paving a way towards the multi-phases in multi-materials with multi- functionalities. The precursors to the discipline of molecular science and engineering are expected to be established together with collective events that will provide the basis for the correlation among structure, composition, phase, functionality, design, synthesis and properties. This topical issue also explores the impact of intensifying materials abundance during physical, chemical, biological, technological and their associated processes, viz., solid state lighting, light emitting, filtering, switching, sensing, energy storage, solar cell, catalytic, electronic, etc. applications.

Various featured themes include, but are not limited to:

• Molecular Targets for Mesophase Formation (Physical, Chemical, and Biological)
• Stable and unstable molecules in all types of environments
• Issues and Processing conditions in all types of catalysis
• Solid and liquid crystals for materials performance
• Soft structures for material properties and functionality
• Processing of biomedical materials
• Advanced manufacturing processes (Mechanical, Chemical and Thermal)
• Processing of materials in additive manufacturing
• Processing of materials for wear and tribological applications
• Meso/ Micro/ Nano fabrication
• Catalytic materials in environmental chemical and processing engineering
• Emerging materials and processes for green conversion of resources
• Processes for renewable and clean energy production, Air/Water treatment

The outcomes are expected to address the scientific and industrial challenges for better materials with superior technology, and some outlook on the cutting-edge research presently being carried out in this field. Communications, full length articles (Theoretical, experimental, and computational), mini- and full review articles are invited.

Articles should be submitted to the Editorial Office of EPJ ST via the submission system, and should be clearly identified as intended for the topical issue “Methodological Developments in Molecular Sciences for Materials Design and Synthesis”.

More detailed author information including paper types can be found in the Submission Guidelines. For the preparation of the manuscripts a special latex template (preferably single-column layout) is available here.

Guest Editors:

Dr. P. Lakshmi Praveen
Department of Physics Veer Surendra Sai University of Technology Burla-768018, Sambalpur, Odisha, India
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Dr. Suresh Sagadevan
Nanotechnology & Catalysis Research Centre (NANOCAT) University of Malaya, Kuala Lumpur, Malysia
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Prof. Prasat Kittakoop
Program in Chemical Sciences Chulabhorn Graduate Institute, Thailand
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Dr. Chinna Bathula
Division of Electronics and Electrical Engineering, Dongguk University –Seoul, Seoul, 04620, Republic of Korea
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