Can be taken anytime
Course Type
Professional Training Course
Yes (Details)
Course Fee

Course Overview

Learning Objectives:

This seminar provides in depth knowledge and expertise in using one of the most powerful computational tools available. A full presentation of software's capabilities and potential applications is provided including numerous case studies investigations and research insights. This seminar is specifically focused on Chemistry and Chemical Engineering involved scientists.

Who should take this course

Chemical Engineers
Physicists Research groups



Course content

Modeling of 3D chemical structures
Periodic table
Auto build
Graphical User Interfaces [GUI]
3D models
Structural characteristics
Chemical Characteristics
Electronic properties
New substances creation
Moving translating using constraints on chemical structures
Investigating energies and conformations


Molecular Dynamics
Monte Carlo
Ab Initio
Density Functional Theory
Semi Empirical force fields
Available basis functions
Atomic and molecular orbitals
Geometry Optimizations
Snapshots and recording

Case Studies:

Hydrogen adsorption in porous carbonaceous adsorbents
CO2 removal by adsorption in porous solids
Protein folding
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]

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.