Green Chemistry & Materials
Modelling (GCMM) Laboratory
About
Dr. Sharmarke Mohamed
Dr. Sharmarke Mohamed (MSci, PhD, MRSC) is an academic with extensive research, teaching, mentoring, supervision and leadership experience within the higher education sector. Since 2014, he has been serving on the faculty at Khalifa University of Science and Technology (KU) where he has made a number of contributions. Some highlights include:
- Author of 3 patents and over 27 high-impact peer-reviewed journal articles and book chapters covering materials modelling, chemical crystallography and crystal engineering.
- PI of the Green Chemistry & Materials Modelling Laboratory (GCMM) in the Chemistry Department of KU.
- Dr. Mohamed has played a leading role in the development of new undergraduate BSc degree programs in Chemistry and Chemical Engineering at KU.
- Dr. Mohamed is Co-Founder and Vice President of the Emirates Crystallographic Society (ECS), which is the national professional crystallographic organization in the UAE and also the adhering entity at the European Crystallographic Association (ECA) and International Union of Crystallography (IUCr).
- Since 2019, Dr. Mohamed has also been serving as the elected Secretary & Treasurer of the ACS International Chemical Sciences Chapter in the UAE.
A Full Services
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A Full Services
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Our laboratory, which is based in the Chemistry Department of KU brings together a diverse group of synthetic organic chemists, crystallographers, materials scientists and computational chemists. We are interested in the development of green mechanochemical methods for the transformation and remediation of persistent organic pollutants. Probing the reaction mechanisms of such transformations using computational modelling methods such as density functional theory (DFT) is an important part of understanding the “big picture” in solid-state transformations. Broadly speaking our research focusses on three main strands: 1) Materials Modelling. 2) Green Chemistry. 3) Functional Materials. See the links below for more information in each area.
Research Focus
Our laboratory, which is based in the Chemistry Department of KU brings together a diverse group of synthetic organic chemists, crystallographers, materials scientists and computational chemists. We are interested in the development of green mechanochemical methods for the transformation and remediation of persistent organic pollutants. Probing the reaction mechanisms of such transformations using computational modelling methods such as density functional theory (DFT) is an important part of understanding the “big picture” in solid-state transformations. Broadly speaking our research focusses on three main strands: 1) Materials Modelling. 2) Green Chemistry. 3) Functional Materials. See the links below for more information in each area.
Crystal Engineering
We aim to design, synthesize and characterize new crystal forms of organic molecules ranging from polymorphs, salts, solvates, cocrystals and ionic cocrystals of organic molecules. Chemical crystallography is a key technique for our group as it allows us to determine with analytical precision the composition and extended 3D structures of our crystals
Computational Crystal Structure Prediction
We use a range of computational methods for predicting the crystal structures of organic single-component and multi-component systems. The value of such techniques is that they provide useful data on the packing preferences and intermolecular forces present in our systems and such data is complementary to our experimental efforts.
Mechanochemical Functionalization & Transformation of Persistent Organic Pollutants
One of the challenges currently faced within the "Waste-to-Energy" (WTO) industry is that there are a range of organic pollutants produced by different industrial and domestic processes which are inherently difficult to degrade or that lead to more pollutants if burnt in traditional incinerators.
Isolation of UAE-native Microbial Organisms Capable of the Biotransformation of PAHs
We are pioneering not just the use of mechanochemistry to solve a major unmet industrial need within the UAE – namely the lack of efficient techniques for the functionalization
- About Us
Dr. Sharmarke Mohamed
Dr. Sharmarke Mohamed (MSci, PhD, MRSC) is an academic with extensive research, teaching, mentoring, supervision and leadership experience within the higher education sector.
Our Research
Materials Modelling
We apply computational materials modelling methods to predict, design and realize new solid-state structures of organic molecules. Crystal structure prediction, DFT and molecular mechanics methods are all areas of particular interest for our group.
Green Chemistry
Our work in this area focuses on the development of mechanochemical methods for the synthesis and functionalization of new organic molecules, complexes and materials with useful properties.
Functional Materials
We work with chemists and engineers to support the discovery of functional 2D and 3D materials with desirable mechanical and optoelectronic materials. We do this by using a range of custom python workflows we developed using data generated from VASP or CASTEP.
Our professional team works to increase productivity on the market.
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