London Training For Excellence HyperChem in Chemical Engineering London Training For Excellence
Price: AED 21,671
Instructor led live virtual classroom online. Classes may be individual or in group.

    Course details

    Overview

    Objective
    By the end of the courseparticipants should have:
    • A complete understanding of HyperChem's capabilities
    • Gained expertise in building complex chemical systems
    • Knowledge on simulating physical and chemical processes
    • Knowledge on obtaining high accuracy predictions of atomic/ molecular properties
    • The ability to use HyperChem to generate high quality research results for scientific publications or/ and industrial applications
    • Built their own chemical models/ systems

    Who Should Attend
    • Chemists, Chemical Engineers, Physicists
    • Research groups

    Course Outlines
    • Modeling of 3D chemical structures
    • Periodic table
    • Auto build
    • Graphical User Interfaces [GUI]
    • 3D models
    • Structural characteristics
    • Chemical Characteristics
    • Electronic properties
    • Polymers
    • New substances creation
    • Moving translating using constraints on chemical structures
    • Investigating energies and conformations
    • Capabilities:
    • Molecular Dynamics
    • Monte Carlo
    • Ab Initio
    • Density Functional Theory
    • Semi Empirical force fields
    • Available basis functions
    • Atomic and molecular orbitals
    • Geometry Optimisations
    • Snapshots and recording

    Case Studies:
    • Hydrogen adsorption in porous carbonaceous adsorbents
    • CO2 removal by adsorption in porous solids
    • Catalysis
    • Protein folding
    • Solvation
    • Water models
    • Membranes selectivity and permeability
    • Diffusion of gases onto porous surfaces of solids
    • Protein folding
    • Opto electronic properties of polymers
    • Gas mixing
    • Elastic polymers atomistic scale behavior
    • VOC removal by MIPs ACs Carbon allotropes
    • Novel Carbon structures [Graphene Fullerene Nanotubes]
    Updated on 08 August, 2024

    Job roles this course is suitable for:

    Chemists , Chemical Engineers , Physicists

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