SDRP Journal of Nanotechnology & Material Science
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SDRP Journal of Nanotechnology  & Material Science

SDRP Journal of Nanotechnology & Material Science(SDRP-JNMS)

ISSN: 2574-1888

Impact Factor: 0.621

Multiscale Modelling of Advanced Materials

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Description

Atomistic simulations, based on ab-initio and semi-empirical approaches, are nowadays widespread in many areas of physics, chemistry and, more recently, biology. Improved algorithms and increased computational power widened the areas of application of these computational methods to extended materials of technological interest, in particular allowing unprecedented access to the first-principles investigation of their electronic, optical, thermodynamical and mechanical properties, even where experiments are not available.


However, for a big impact on the society this rapidly growing field of computational approaches to materials science has to face the unfavourable scaling with the system size, and to beat the time-scale bottleneck. Indeed, many phenomena, such as crystal growth or protein folding for example, occur in a space/time scale which is normally out of reach of present simulations. Multi-scale approaches try to combine different scale algorithms along with matching procedures in order to bridge the gap between first-principles and continuum-level simulations. This workshop is aimed at the description of recent advances and applications in these two emerging fields of ab-inito and multi-scale materials modelling for both ground and excited states. A variety of theoretical and computational techniques will be presented along with the application of these methods to systems at increasing level of complexity, from nano to micro. To enhance the communication between experimental materials researchers and computational physicists, we plan a number of talks by world-renowned experimentalists on materials characterization. Crossing the borders between several computational, theoretical and experimental techniques, this workshop should be of interest to a broad community, including experimental and theoretical physicists, chemists and engineers interested in materials research in a broad sense.



Journal Archive

Volume: 3 Issue: 1 Volume: 2 Issue: 1 Volume: 1 Issue: 1

Journal Recent Articles

Author: MEHRNAZ
Metallic nanomaterials in cancer theranostics: A review of Iron oxide and Gold-based nanomaterials
Author: Fatemeh Mirnajafizadeh
A Brief Review on Core/shell Quantum Dots
Author: Yue Dong
Synthesis and mechanical properties of bulk metallic nanoglasses: A brief review
Author: Joseph S. D'Arrigo
NANOTHERAPY TO DELAY COGNITIVE IMPAIRMENT: USING COLLOIDAL NANOCARRIERS TO BLOCK AMYLOID-β-INDUCED DAMAGE IN BRAIN CELL MEMBRANES
Author: Hai-Xia Cao
A simple and effective fluorescent and colorimetric probe for the detection of glutathione in human serum
Author: Serge Corbel
Kinetic study of photocatalytic degradation of Ifos famide in a microchannel and simulation
Author: Jinglong Wang
In vitro cytotoxicity studies on galactosylated chitosan nanoparticles for the delivery of oridonin to liver
Author: Brajadulal Chattopadhyay
A microbial protein-assisted silica ball comprising of silica-nanoparticles with plausible optical properties for multiple applications
Author: RAJESH
Investigation of Heat Transfer Characteristics of Circular and Diamond Pillared Vane Disc Brake Rotor Using CFD
Author: CAROLINA MARIA FERREIRA DOS SANTOS
The effect of caustic magnesia natural impurities on magnesium oxide hydroxylation
Author: Mohamed Ahmed
Water Hardness Removal by Using Waste Polystyrene
Author: Yong Zhang
Vortex induced flower-like Ni-Co coating by a hydrothermal approach
Author: Kazuya Ogawa
Ethynylene-bridged Porphyrin-fluorene Composites
Author: Rudra Dhar
Smart Window Technologies: Electrochromics and Nanocellulose thin film Membranes and Devices
Author: Kazuya Ogawa
Synthesis and Optical Properties of Ethynylene-linked Trisporphyrins

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