London Training For Excellence HyperChem in Chemical Engineering London Training For Excellence
Price: USD 5,900
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

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