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DTSTART;TZID=UTC:20240724T090000
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SUMMARY:Two Days Hands on Workshop on Nano Scale Molecular Dynamics - Theory and Practical Simulation
DESCRIPTION:Two Days Hands on Workshop on Nano Scale Molecular Dynamics – Theory and Practical Simulation \n24-25th July 2024\, @Virtual Engineering\, Rajajinagar\, Bangalore \n  \nAbout Workshop\nThe challenge of predicting physical properties of the polymer materials are difficult as it varies greatly\, the varied physical properties of polymeric materials arise from their different structures\, compositions and processing conditions. \nHowever\, the new era of nano simulation technologies has changed the approach and made it easy for engineers/scientists to estimate the properties of the polymers at different scales and conditions. The basic structure of a polymer is determined by the chemical structure of its\nmonomers. However\, the molecular weight and molecular weight distribution of a polymer generally depend on polymerization conditions and the Molecular Dynamics Approach will enable the engineers to predict important properties of the polymeric materials such as \n\nMechanical Properties: Stress-Strain curve\, Elastic modulus\, Hysteresis\, Peeling\, Interfacial failure\nThermal Properties: Glass transition\, Melting\, Thermal expansion\nPermeability/ Diffusion: Gas barrier\, Dissolution mechanism of gas or small molecule\, Diffusion mechanism of gas or small molecule\nInterfacial: Solubility\, Phase separation\, Interface structure\, Surface tension\, Surfactant’s effect\nRheology: G’\, G”\, Viscoelasticity \nOptical: Birefringence\n\n  \nTopics Covered (Theory & Practical) \n01 : Fundamentals of First Principle Calculations\n02 : Introduction to Molecular Dynamics\n02 : Introduction to Multiscale Modelling\n03 : Force Field Computations\n04 : Fully Atomistics Molecular Dynamics (FAMD)\n05 : Coarse Grained Molecular Dynamics (CGMD)\n06 : Interface/phase separation simulation\n07 : Rheology Simulation\n08 : Reaction Modelling\n09 : Multiphase Material Modelling\n10 : Representative volume element (RVE)\n11 : Process Simulation (particulate dispersion systems\, droplets\, coatings)\n12 : Multi-Scale Coupling Simulation\n13 : Material Informatics\n14 : Composite Material Modelling and Characterisation\n15 : Machine Learning in Molecular Dynamics\n16 : Prediction of Tg\, Thermal\, Mechanical\, Rheological\, Diffusion/Permeability\, interfacial\, optical properties and so on\n17 : Case Studies \nMrs. Shilpashree\nshilpashree@dhioresearch.com\nPhone : +91 9900138009
URL:https://www.dhioresearch.com/event/two-days-hands-on-workshop-on-nano-scale-molecular-dynamics-theory-and-practical-simulation/
LOCATION:Virtual Engineering\, DHIO RESEARCH\, 28\, 36th Cross\, Rajajinagar\, Bangalore\, Karnataka\, 560010\, India
CATEGORIES:J-OCTA,Workshops
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ORGANIZER;CN="DHIO%20RESEARCH%20AND%20ENGINEERING%20PVT%20LTD":MAILTO:nls@dhioresearch.com
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