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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

  • All
  • August
  • October
  • December

Location

  • All
  • Istanbul
  • London
  • Engineering

5 Days 20 CPD hours

14 - 18 Aug 2023

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London

London

$5,900.00

  • Engineering

5 Days 20 CPD hours

16 - 20 Oct 2023

Register Now
Istanbul

Istanbul

$5,900.00

  • Engineering

5 Days 20 CPD hours

25 - 29 Dec 2023

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London

London

$5,900.00

Speak to our friendly training advisor today

Dunya Sayedyusef

sales@londontfe.com

Call+44 2071836657

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Employees of professional or formally regulated bodies are generally expected to have CPD accredited training. This type of accreditation ensures that the training is knowledgeable, informed and constantly updated. It ensures our standards as a company are kept high and consistent.

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Yes, we focus our training on ‘real-world’ scenarios and our trainers are all highly experienced and skilled in their relevant fields.

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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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