How to Use Computational Chemistry Tools? Course

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

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

Schedule & Fees

3 For 2Offer

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
December

Location

All
London

London

$5,900

Duration: 5 Days

date: 16 - 20 Dec 2024

Chemical Engineering

Computational Chemistry Tools

Duration:5 Days

date:16 - 20 Dec 2024

London

$5,900

Questions? Speak to our
friendly training advisor

Maisa Abed

sales@londontfe.com

+44 2071836657

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CPD Standards

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