Dates flexible
Course Type
Professional Training Course
Yes (Details)
Course Fee

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.

Who should take this course

Chemists Chemical Engineers
Physicists Biologists Laboratory personnel/researchers Research groups



Course content

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.

About Course Provider

London Training for Excellence offer a wide range of training courses in London for organisations and individuals who wish to advance their skills and knowledge in the business world. With a great training centre in London, London TFE have everything that is needed to understand the basic needs of a business. Each course focuses on the ‘real-life’ issues a business could face and how to tackle them with ease.

London TFE have a team of enthusiastic leaders and instructors who share a passion for education and want to deliver that same passion to every individual who wish to take a business to succession. Each training courses London encourages individual to aim high and reach their full potential.

How to enroll?

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