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Chemical EngineeringComputational Chemistry Tools


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  • TurkeyIstanbul
  • 16 - 20 Oct 2023
  • 20 CPD hours
  • $5,900.00
  • Overview
  • Course Outline
  • Scheduled Dates

Course Overview

Learning Objectives:

This is a novel and unique seminar. Specifically designed to provide a general introduction to computational chemistry tools and present the theoretical approaches (theories) involved. It aims at presenting all capabilities of state of the art computational chemistry packages. Specifically designed for chemists, chemical engineers, physicists and biologists.

Objective:

By the end of the course, participants should have:

 

  • A broad knowledge of theoretical chemistry approaches
  • Identified all potential uses of computational tools
  • Understood all advantages of computational chemistry tools, including the huge time gain due to minimization of laboratory work and experimentation
  • Been presented with some of the most efficient computational tools available
  • Examined ways to calculate physical and chemical properties of substances
  • Gained insight in model building and physical / chemical processes simulation
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Course Outline

Theoretical Chemistry:

 

  • Introduction to theoretical chemistry
  • Ab Initio, DFT, Semi Empirical, Monte Carlo, Molecular Dynamics
  • Advantages and applications
  • Energy surfaces
  • Force fields
  • Programming Theoretical Chemistry

 

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

 

Process simulation/ case studies:

 

  • ideal gases
  • real fluids
  • adsorption
  • catalysis
  • protein folding
  • steric hindrances
  • polymeric behavior
  • diffusion
  • chemical equilibrium
  • solvation

 

Published works:

 

  • examples of applications
  • case studies published
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Schedule & Fees

2+1Offer

Get the most out of group training with our special discount! Register 3 of your participants together on the same course and only pay for 2.

Select Month

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  • August
  • October
  • December

Location

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  • Istanbul
  • London
  • Engineering

5 Days 20 CPD hours

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London

London

$5,900.00

  • Engineering

5 Days 20 CPD hours

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Istanbul

Istanbul

$5,900.00

  • Engineering

5 Days 20 CPD hours

Register Now
London

London

$5,900.00

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Computational Chemistry Tools

  • TurkeyIstanbul
  • 16 - 20 Oct 2023
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  • TurkeyIstanbul
  • 16 - 20 Oct 2023
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