Editorial Board for section 'Theory and Simulation of Nanostructures'
- Biology and Medicines Section
- Nanophotonics Materials and Devices Section
- Synthesis, Interfaces and Nanostructures Section
- Energy and Catalysis Section
- Nanoelectronics, Nanosensors and Devices Section
- Theory and Simulation of Nanostructures Section
- Environmental Nanoscience and Nanotechnology Section
- Nanofabrication and Nanomanufacturing Section
- Nanocomposite Materials Section
- 2D and Carbon Nanomaterials Section
- Inorganic Materials and Metal-Organic Frameworks Section
- Solar Energy and Solar Cells Section
- Physical Chemistry at Nanoscale Section
Please see the section webpage for more information on this section.
Members (30)

Interests: theoretical and computational methods for the study of electronic and optical properties of semiconductor nanostructured materials for optoelectronic and biological applications; synthesis (with physical methods) and characterization of amorphous and nanocrystalline materials for energy, environmental and biological applications
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Interests: computational biology; drug discovery; modeling and simulations of molecular systems
Interests: model and simulate complex systems; materials; infectious disease; transmission; networks

Interests: continuum mechanics; nanostructures; nonlocal models
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Interests: molecular dynamics; extreme conditions; phase transitions; melting

Interests: nonlinear optics; nonlinear plasmonics; nanoparticles and nanoclusters; molecules and biomolecules for nonlinear optics; liquids; liquid surfaces and interfaces
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Interests: two-dimensional materials; surfaces and interfaces; nanostructures; Ab initio calculations; density functional theory
Interests: quantum chemistry; molecular modeling; computational spectroscopy
Interests: nanoindentation modeling and measurements of mechanical properties; growth, structure, and properties of nanostructured materials; microscopic shape memory and superelastic effects; magnetorheological fluids; superhydrophobic and superhydrophilic surfaces; ion-solid interactions and ion beam modification of materials; automotive applications of new materials and processes
Interests: DFT; modeling; nanoparticle; nanomedicine; trnaition metal oxides; graphene; 2D materials
Interests: stochastic modeling and kinetic Monte Carlo simulation; epitaxial thin film growth; coarsening of nanostructures; self-assembly and shape stability of metallic nanocrystals; catalytic nanomaterials
Interests: quantum chemistry of solids; theoretical and computer modeling of nanostructures (nanolayers, nanotubes, nanowires, nanothreads, nanohelicenes); surface symmetry and models; point defects modeling and computer calculations

Interests: charge-transfer; energy-transfer; excited states; functional materials; materials modeling; DFT; spectroscopy; supra-molecular aggregates; structure-functional properties
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Interests: nanoelectronics; optoelectronics; devices characterization; simulation; 2D materials; neuromorphic electronics/computing; graphene
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Interests: laser-matter interactions; multi-scale modelling; nanotechnology
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Interests: the electronic; physical; and catalytic properties of 2D materials; first-principles; DFT calculation; electrochemical/photoelectrochemical reduction of water and CO2

Interests: carbon materials; nanostructured materials; energy storage materials and mechanical metamaterials
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Interests: computer modelling; electronic structure; advanced materials; nanostructures; reactivity; catalysis; hydrogen technology; energy storage; surface phenomena; understanding at the atomic level
Interests: characharacterization of nanofluids; molecular simulation; fluid phase theories and modelling; interfacial properties, confined fluids
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2. School of Engineering and Materials Science, Queen Mary University of London, London, UK
Interests: Bio-inspired; bionic, nano, meta Materials and Mechanics

Interests: nanoinformatics; chemoinformatics; bioinformatics; computational nanotoxicology; predicting phys-chem properties of nanoparticles; predicting transport and fate of nanoparticles; multicomponent nanoparticles; advanced materials; smart materials; materials safe-by-design; computational methods for risk assessment; new generation risk assessment (NGRA)

Interests: computational material science; soft matter
Interests: computer simulations; insulators; defects; amorphous solids; electronic structure; interfaces; grain boundaries

Interests: mechanical properties of nano-objects; elasticity; plasticity; X-ray diffraction; synchrotron radiation; nanowires; nanostructures
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Interests: density functional theory (DFT); silica-based materials; noble metals; bio- and biological materials; theoretical chemistry; computational chemistry; materials characterization at the atomic/molecular level
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Interests: theory of shells, plates, arches, and beams; generalized differential quadrature; FEM; SFEM; WFEM; IGA; SFIGA; WFIGA; advanced composite materials; functionally graded materials; nanomaterials and nanotechnology
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Interests: physical chemistry; theoretical chemistry; computational chemistry; modelling and simulation; computer-aided drug design and development
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Interests: nanomaterial properties; reactivity; toxicity; solubility; bio-nano interactions
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Interests: surfaces structure; reactivity and catalysis; structure and electronic structure of ceramics and energy materials including batteries; solid oxide fuel cells; transparent conductors; photovoltaics and thermoelectrics
Interests: nanophotonics; nanoscale quantum optics; two-dimensional materials; plasmonics; light-matter interaction; quantum emitters