Special Issue "Computational Tools for Renewable Materials"

Submission Deadline: 30 November 2021
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Guest Editors
Shuang Wang, Professor, Jiangsu University, China.
Shuang Wang is a specialist in Thermochemical Biomass Conversion. He is the vice dean of the School of Energy and Power Engineering, Jiangsu University, China. He received his Ph.D. degree in Thermal Engineering from Shanghai Jiaotong University in 2010. Prof. Wang’s research interests mainly focus on CO2 emission reduction using microalgae, algal pyrolysis and hydrothermal conversion for bio-oil production, algal co-pyrolysis and catalytic co-pyrolysis. He has published more than 80 papers in SCI/EI indexed papers and three books to date. He has also achieved ten invention patents in China.


In recent years, due to high demands for fuels and their consequential environmental crises, renewable materials have received significant attention. The conversion of biomass to bioenergy includes many steps and mechanisms that are not well studied and understood. However, by advances in computational tools such as molecular dynamics simulations and modeling, these mechanisms are becoming more understandable. Renewable materials are made of various biomolecules that play an important role in their conversion to energy. Considering biochemical conversion methods, there are various enzymes that participate in breaking down biomass into its monomer in bioenergy production, and currently, a huge gap in understanding these processes exists. Computational tools can assist not only in understanding these mechanisms it can be applied in designing novel enzymes with higher capability for the conversion of renewable materials. Moreover, in other processes such as pyrolysis and hydrothermal liquefaction, the intermediate molecules and conversion mechanism are not well known. Understanding the mechanisms and enhanced knowledge about these mechanisms would enlighten our understanding of achieving more sustainable conversion platforms and discover new high-value products.


This Special Issue, Computational tools for renewable materials, seeks high-quality works and topics on a better understanding of biomolecules involved in converting renewable materials. This special issue may also consider manuscripts that provide concepts or methodology that can be utilized for the engineering of enzymes involved in biomass conversion. Also, it covers various computational studies involved in the renewable material transformation.

Insilco design, Molecular dynamic simulation, Biomolecule engineering, Enzyme, Conversion mechanisms, Density-functional theory (DFT), sustainable and renewable materials.