Computational Chemistry Tools
- Home
- Course
- Chemical Engineering
- Computational Chemistry Tools
This course provides an in-depth introduction to computational chemistry tools designed to equip participants with the knowledge and skills to use state-of-the-art computational chemistry packages. It covers theoretical approaches such as Ab Initio, DFT, Monte Carlo, and Molecular Dynamics and explores their applications in various fields. Whether you are a chemist, chemical engineer, physicist, or biologist, this course will expand your understanding of how computational chemistry can be applied to solve complex problems in your field.
Course Objectives
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 minimisation 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
Who Should Attend?
- Chemists, chemical engineers, physicists, and biologists
- Laboratory personnel and researchers in related fields
- Research groups and academic professionals interested in computational chemistry
- Anyone looking to enhance their skills in computational modelling and simulations
Course Outline
- Overview of theoretical chemistry and its significance
- Ab Initio, DFT, Semi-Empirical methods, Monte Carlo simulations, and Molecular Dynamics
- Understanding the advantages and applications of computational chemistry tools
- Exploring energy surfaces and their role in chemical reactions
Want a copy of the outlines in your inbox?
Accreditations

CPD Standards
Helping to develop learning worldwide.

ISO 9001:2015
Book this course
Corporate buyer? You can request to pay by invoice at checkout.
Dates, Venues & Prices
Select Month
Location
Book this course
Corporate buyer? You can request to pay by invoice at checkout.

Not sure it's the right course? Ask Isabel.Leave a message
Our Chemical Engineering training advisor — replies within an hour during working hours.
Run this course for your team
We deliver this course in-house, tailored to your organisation — at your offices or a venue of your choice, anywhere in the world.
The LTFE Guarantee
Book with complete confidence — every course, every venue.

100% money-back guarantee
If the course doesn't meet the standard we promise, we refund it.

We never cancel a confirmed booking
Your dates are locked the moment your booking is confirmed.

Experienced industry trainers
Courses delivered by practitioners with real-world track records.

Round-the-clock support
We're available around the clock, before and during your course.

A dedicated point of contact
One named advisor from first enquiry to certificate.
What our delegates say
Thank you for the opportunity for having attended Advanced Skills of the Bid and Tender Management Process from London Training for Excellence. It was a good experience as I find myself with added knowledge so as to contribute I a more quality manner to my com…
The course is very adaptable to everyday work and contributes to developing CSR framework in our own organisation. Very practical and useful.
The training provided by LondonTFE are very inspirational and thought provoking. The outlines are comprehensive and the method of teaching is mostly practice-oriented. The LondonTFE staff always been able to balance the composition of participants, which contr…













