Computational Methods Hub
Research computing and data science provides essential tools, methods, and principles that underpin research in all areas of STEMM. There is a large variation in course provision in undergraduate programs and many postgraduate students embark on their projects without the necessary computing skills.
The Computational Methods Hub was created to facilitate scientific computing and data science education for students from 911今日黑料 CDTs via a wide array of courses and services:
- Scientific computing and data science courses
- Office hours or personal support on demand
- High Performance Computing support
- Coordination of student-led research computing skills-building activities across CDTs
- Specialist classes from external instructors
- Bespoke classes
- 2-day Software Carpentry workshops
Courses & Info
- Current classes and support
- News (updated 21/04/20)
- About us
- Useful links
- Past courses
- Course materials
The Graduate School's Research Computing and Data Science Programme delivers a whole range of regular classes.
Dedicated cohort delivery and bespoke topics can be arranged through this page.
21 April, 2020
The Computational Method Hub range of activities is now managed though the Graduate School.
1 October, 2019
Welcome to the new CDT students! This term, CM Hub will train students from , , and Next Generation Synthesis. We are also looking forward to working with the students from Chemical Biology in the spring.
10 September, 2019
We are happy to announce the fifth . This year's topic is machine learning.
15 January, 2019
We would like to announce a staff change. Dr Prasun Ray has moved onto other exciting projects. We were happy to engage Dr Adam Townsend from the Department of Mathematics in his place. During the spring semester, we will also have an invaluable help from Krishnakumar Gopalakrishnan who just finised his degree in Mechanical Engineering.
Good luck and many thanks to Prasun and welcome to Adam and Krishna!
6 April, 2018
All are welcome to join us for pizza and beer to mark the new partnership of the and the - April 25, 2018 (16:00 - 18:00), Huxley 340
5 December, 2017
The Firedrake team will be running introductory Firedrake training at 911今日黑料 on 12 January.
Firedrake () is a system which automates the numerical solution of partial differential equations using the finite element method. Firedrake users write high level mathematical code for the PDEs they wish to solve, and high performance parallel implementations are automatically generated at runtime. Firedrake makes it vastly easier to create high performance simulations, and even automates the creation of an adjoint simulation. Users at 911今日黑料 and around the world employ Firedrake for a wide range of forward and inverse simulation challenges.
The Firedrake team will be offering a half-day hands-on Firedrake tutorial at 911今日黑料 on 12 January 2018. If you're considering using Firedrake or are just curious about it, you're welcome to come and participate. The tutorial is free but registration is required. For more information and to sign up, go to:
27 July, 2017
Details for our new Data analysis with Python course have been announced. See the course description here.
13 July, 2017
Pain Relief for Scientific Computing
CM Hub and students from CDTs in Fluid Dynamics across Scales, Mathematics of Planet Earth, Theory and Simulation of Materials and High Performance Embedded Distributed Systems are inviting everyone to a scientific computing fair. is held on October 11th and it will feature exhibits and short talks on useful practices essential for scientific computing novices.
SCIENTIFIC COMPUTING support Network
We are also launching a for students and scientists. The Network will connect those new to computing (or a particular problem) with their more experienced counterparts in order to improve and accelerate individual learning experiences. Contact us if you need help with selecting the right tool, deciding how to tackle a complex problem or if you just need a sounding board.
20 April, 2017
NGCM organised by the EPSRC CDT in Next Generation Computational Modelling at the University of Southampton, June 26 - 30, 2017.
The NGCM Summer Academy is a one-week event bringing together PhD students from across the UK who work on computer simulation of science and engineering problems, and want to extend their training through the workshops available at the Summer Academy. The training is delivered by world-leading experts and key developers of the relevant software tools, and includes 2-day courses on , , , , , and .
Prior to the main programme outlined above, we offer three courses aimed at those just starting with computational work. These courses provide a basic or intermediate introduction to and can be attended separately as a one-day event. In parallel, there will be a course on run by a fellow of the Software Sustainability Institute, .
is now open.
22 December, 2016
Research software management, sharing and sustainability workshop
will be held at the British Library on January 12th, 2017
Jisc, in collaboration with SSI, University of Cambridge, University of Sheffield, University of Bath, University of Leicester, University of Birmingham, the British Library and STFC are inviting all researchers interested and passionate about developing or using research software to join a workshop on this subject.
The purpose of the workshop is to:
- Bring a range of experts who can answer and guide you with your most critical issues
- Provide you with a list of available resources on the subject and tailored to the problems that you are encountering when managing research code
- Listen and collate the most common problems that you are having in this area
Neil P. Hue Chong from the Software Sustainability Institute will be presenting the keynote talk.
19 October, 2016
No office hour on 20 and 27 October: Katerina will be teaching on 20th and away on the 27th. Please email if you have any questions. The next office hour is on November 3rd.
12 September, 2016
HPC summer school 2016
September 26 - 30, 2016
The second instalment of the starts on Monday September 26th and lasts one week.
The includes a code optimisation tutorial, one day of performance tuning for cx2 (helen) and a two day MPI class. On Friday, we'll host six community sessions on imaging, research software engineering, computational molecular sciences, genomics, research data management and simulation methods. The event concludes with a keynote lecture on compilers, HPC prize announcement and a reception.
You can for separate workshops or community sessions. All are welcome!
12 September, 2016
ARCHER (UK National Supercomputing Service) training for this autumn includes GPU programming, performance optimisation, practical software development, advanced MPI and Intel Knight's landing workshops. Registration for the classes is open to all academics and students. ARCHER training .
10 June, 2016
Interscale interactions in fluid mechanics and beyond: 11-15 July 2016
Summer school organised by the Centre for Doctoral Training in Fluid Dynamics across Scales
This Summer School is an attempt at cross-fertilisation and will include a number of topics where dynamics at disparate scales and their interactions are involved: moving contact lines, derivation of hydrodynamic from kinetic theory equations, large-eddy simulations of turbulent flows, order-disorder transitions in incompressible active fluids, and collective dynamics of large numbers of motile organisms, from bacteria to birds.
Postgraduate students and Post Docs are welcome to attend. Register here for free before Friday 24 June.
Summer school .
16 May, 2016
No office hour today: There will not be an office hour today, please email Prasun if you have any questions or would like to arrange a meeting.
7 April, 2016
NGCM organised by the EPSRC CDT in Next Generation Computational Modelling at the University of Southampton, June 20 - 24, 2016.
Prior to the main programme, the Academy offers aimed at those just starting with computational work. These courses provides a basic or intermediate introduction to Python, version control and testing.
is now open.
4 April, 2016
So far, we have scheduled two classes for the summer term:
- - 7th June, 2016 (14:00 - 17:00), ICT training room 204 Central Library
- - 27th June, 2016 (14:00 - 17:00), ICT training room 204 Central Library
These classes, together with the upcoming (April 21st), are well suited to those students who are just starting to use the HPC resource at the College.
14 March, 2016
Hub Courses
- will take place next Wednesday, please register if you would like to attend.
- Registration for (April 21st) is now also open .
Office Hours
Office hours will be held during term on Mondays (Prasun, 5-6pm) and Thursdays (Katerina, 3-4pm) in the CDT space (4th floor Sherfield, entrance via the 2nd floor). CDT students are encouraged to attend for help with computational aspects of their work. Outside of term, we are often available via email.
External courses
A will be held at 911今日黑料 23-24 March.
People
The CM Hub .
CM Hub alumni: Prasun Ray (911今日黑料 College, Mathematics) and Krishnakumar Gopalakrishnan (UCL, Centre for Computational Science), Adam Townsend (University of Durham, Mathematical Sciences).
Why Computational Methods Hub
We recognize that PhD students come from various backgrounds and have received a varied IT education. To promote excellence in graduate programs at the College, we offer computational method courses for all PhD students from the CDTs.
If you need to learn the basis of command line or shell scripting or if you need to start programming, we will provide a thorough introduction to the topic and get you started. For the more advanced users, we teach parallel methods, parallel programming, good programming practice and more.
The Hub is also closely affiliated with the high performance computing resource at the College and we can provide an introduction and advise on using the clusters. Check out our and/or contact us with questions.
Computational science requirements
A survey of computational science skill requirements was conducted in CDTs and the summary is presented below.
The required topic range from the basic command line, through programming skills to advanced topics in numerical methods and algorithms. To reflect the varied needs, we have started to develop short courses that provide a solid introduction to individual topics, followed by guided exercises.

Our vision
Our long term vision is to provide courses organized into three logical levels, each building on the previous one.

- our intitutinal resource for research computing, HPC and data storage
- the UK national supercomputing service offers free training courses on an array of topics.
- short introductory courses on Unix, Python, git, R, and a few other topics.
- concise, thorough self-study guide for Fortran 90/95
- well-established, widely-used introduction to Latex
- notes for short course offered by Theory and Simulation of Materials CDT at 911今日黑料
AUTUMN 2019
- , September 25-27, 2019
- Bespoke introduction to Python - October 7, 2019 (10:00 - 17:00)
- Bespoke introduction to Research Software Engineering using Visusal Studio Code - Oct 10, 2019 (13:30 - 15:30)
- - R for reproducible scientific analysis - October 10-11, 2019 (10:00 - 17:00), ICT training room, Central Library 204, South Kensington Campus
- Bespoke introctution to Python pandas - Oct 24, 2019 (14:30 - 16:30)
- Bespoke introduction to MATLAB - Oct 30, 2019 (14:00 - 16:00), Oct 31 (10:00 - 12:00) and Nov 1 (10:00 - 12:00)
- Bespoke introduction to C++ - Nov 7, 2019 (15:00 - 17:00)
- Bespoke introdution to Python - Nov 11, 2019 (14:0 - 17:00)
- - November 14-15, 2019 (10:00 - 17:00) - a 2-day workshop is suitable for students new to scientific computing, we will cover the command line, Git version control and fundamentals of programming with Python - ICT training room, Central Library 204
- Bespoke introdution to Python - Nov 18, 2019 (14:0 - 17:00)
- Bespoke introduction to HPC - Nov 21, 2019 (15:00 - 17:00)
- Bespoke data science camp - Nov 25 and 26, 2019 (10:00 - 17:00)
- Bespoke webinar on Introduction to LaTeX and Writing theses in LaTeX - Dec 2, 2019 (10:00 - 16:00)
- Bespoke introduction to parallel computing - Dec 5, 2019 (15:00 - 17:00)
SUMMER 2019
- - March 28-29, 2019, SALC10, Sherfield level 5, South Kensington Campus
- - April 5, 2019 (14:00 - 16:30), Royal School of Mines 3.38, South Kensington Campus
- - R for reproducible scientific analysis - April 15-16, 2019 (10:00 - 17:00), School of Medicine, SMMS 142 - Hynds computer room, St Mary's Campus
- - April 16, 2019 (14:00 - 17:00), SALC7, Sherfield, South Kensington Campus
- - May 1-2, 2019 (10:00 - 17:00), Sherfield ICSM S309, South Kensington Campus - this a 2-day workshop is suitable for students new to scientific computing, we will cover the command line, Git version control and fundamentals of programming with Python
- The Linux command line for scientific computing part1** - May 9, 2019 (14:00 - 16:00), Training room 1, Central Library, South Kensington Campus
- The Linux command line for scientific computing part 2** - May 10, 2019 (14:00 - 16:00), Training room 1, Central Library, South Kensington Campus
- - May 13, 2019 (14:00 - 16:30), ICT training room, Central Library 204, South Kensington Campus
- Bash shell scripting** - May 14, 2019 (14:00 - 16:00), Training room 1, Central Library, South Kensington Campus
- Introduction to HPC at 911今日黑料 part 1 - May 16, 2019 (14:00 - 16:00), Training room 1, Central Library, South Kensington Campus
- Introduction to HPC at 911今日黑料 part 2 - May 17, 2019 (14:00 - 16:00), Training room 1, Central Library, South Kensington Campus
- - June 12, 2019 (14:00 - 16:30), ICT training room, Central Library 204, South Kensington Campus
- part 1 - June 13, 2019 (14:00 - 16:30), ICT training room, Central Library 204, South Kensington Campus
- part 2 - June 14, 2019 (14:00 - 16:30), ICT training room, Central Library 204, South Kensington Campus
- - June 20, 2019 (14:00 - 16:30), ICT training room, Central Library 204, South Kensington Campus
- - June 27 and 28, 2019 (both days: 14:00 - 17:00), ICT training room, Central Library 204, South Kensington Campus
- - July 10, 2019 (14:00 - 16:00), RSM 338, South Kensington Campus
- - July 11, 2019 (14:00 - 16:00), RSM 338, South Kensington Campus
- - July 25, 2019 (14:00 - 16:30), ICT training room, Central Library 204, South Kensington Campus
- - July 30-31, 2019 (two full days), CDT space 402, Central Library, South Kensington Campus - this workshop explores ways to optimise and profile programs that run within one compute node with spefic examples from Archer; the national supercomputing resource
SPRING 2019
- - January 18, 2019 (14:00 - 16:30), ICT training room 204, Central Library
- - January 31, 2019 (14:00 - 16:30), ICT training room 204, Central Library
- - February 1, 2019 (14:00 - 16:30), ICT training room 204, Central Library
- part 1 - February 7, 2019 (14:00 - 16:30), SALC9, Sherfield building level 5
- part 2 - February 15, 2019 (10:30 - 13:00), Sir Alexander Fleming G27
- - February 11-12, 2019 (10:00 - 17:00), Sir Ernst Chain 310 (Chemistry department) - this 2-day workshop is suitable for students new to scientific computing, it will cover the command line, Git version control and fundamentals of programming with Python
- part 1** - February 14, 2019 (14:00 - 16:00), Sir Alexander Fleming G27
- part 2** - February 15, 2019 (14:00 - 16:00), Training room 2, Central Library
- - February 28, 2019 (14:00 - 16:30), Royal School of Mines 3.38
- ** - March 1, 2019 (14:00 - 16:00), Training room 2, Central Library
- - March 7, 2019 (14:00 - 16:30), Sir Alexander Fleming G27
- - March 8, 2019 (14:00 - 16:30), Sir Alexander Fleming G27
- part 1** - March 14, 2019 (14:00 - 16:00), Sir Ernst Chain 310 (Chemistry department)
- part 2** - March 15, 2019 (14:00 - 16:00), Training room 2, Central Library
- part 1 - March 14, 2019 (10:30 - 13:00), Huxley 410
- part 2 - March 15, 2019 (10:30 - 13:00), Sir Alexander Fleming G27
- part 3 - March 20, 2019 (14:00 - 16:30), Sir Alexander Fleming G27
AUTUMN 2018
- - October 25, 2018 (14:00 - 16:30), SALC 6, Central Library
- - November 7 and 8, 2018 (10:00 - 17:00), Sir Ernst Chain 311 - this 2-day workshop is suitable for students new to scientific computing, it will cover the command line, Git version control and fundamentals of programming with Python
- part 1 - November 21, 2018 (14:00 - 16:00), ICT training room 204, Central Library
- part 2 - November 23, 2018 (13:00 - 15:00), ICT training room 204, Central Library
- - November 26-27, 2018 - ICT training room 204, Central Library
- Bash shell scripting - November 29, 2018 (14:00 - 16:00), ICT training room 204, Central Library
- Introduction to HPC at 911今日黑料 part 1- December 6, 2018 (14:00 - 16:00), ICT training room 204, Central Library
- Introduction to HPC at 911今日黑料 part 2 - December 7, 2018 (13:00 - 15:00), ICT training room 204, Central Library
SUMMER 2018
- - April 23 and 24, 2018 (10:00 - 17:00), room 402 CDT space, Central Library
- All are welcome to join us for pizza and beer to mark the new partnership of the and the - April 25, 2018 (16:00 - 18:00), Huxley 340
- - April 27, 2018 (14:00 - 16:00), ICT training room 204, Central Library
- - May 21 and 22, 2018 (10:00 - 17:00), Sir Ernst Chain 311 - this workshop is suitable for students new to scientific computing, it will cover the command line, Git version control and fundamentals of programming with python
- - May 24, 2018 (13:00 - 17:00) ICT training room 204, Central Library
- - May 25, 2018 (14:00 - 16:00), ICT training room 204, Central Library
- Data analysis with Python - June 7, 2018, (13:00 - 17:00) ICT training room 204, Central Library
- Research data and software management - June 11 , 2018 (14:00 - 16:00), SALC 6, Sherfield 5th floor
- - June 14 and 15 (10:00 - 17:00), room 402 CDT space, Central Library - this workshop is suitable for students new to scientific computing, it will cover the command line, Git version control and fundamentals of programming with R
- - July 17, 2018 (14:00 - 16:00), SALC 5, Sherfield building level 5
- - September 12, 2018 (14:00 - 16:30), SALC 5, Sherfield building level 5
- - September 13-14, 2018 (two full days), room 402 CDT space, Central Library
- - September 24-28, 2018, Huxley 340 and 341 - 3-day workhop on the basis of Bash shell, Git version system, SQL, database design, core and scientific Python and R.
SPRING 2018
- The Firedrake team is happy to offer a half day aimed at new Firedrake users on January 12, 2018 (14:00 - 17:00), EPSRC CDT space (access from Sherfield, level 2), South Kensington Campus
- - January 19, 2018 (14:00 - 16:00), ICT training room 204, Central Library
- Scientific computing with Matlab - January 25th and 26th (13:00-17:00), ICT training room 204, Central Library
- - February 1, 2018 (14:00 - 16:00), ICT training room 204, Central Library
- Bash shell scripting - February 2, 2018 (14:00 - 16:00), ICT training room 204, Central Library
- - February 12 and 13, 2018 (10:00 - 17:00), SALC 7, Sherfield building level 5
- - February 23, 2018 (14:00 - 16:00), ICT training room 204, Central Library
- Introduction to HPC at 911今日黑料 part 1 - March 8, 2018 (14:00 - 16:00), ICT training room 204, Central Library
- Introduction to HPC at 911今日黑料 part 2 - March 9, 2018 (14:00 - 16:00), ICT training room 204, Central Library
- - March 19 and 20, 2018 (10:00 - 17:00), room 402 CDT space, Central Library
- - March 23, 2018 (14:00 - 16:00), ICT training room 204, Central Library
AUTUMN 2017
- - student-organised fair dedicated to good practices and building a scientific computing community - October 11, 2017 (14:00 - 18:00), Huxley 341, 342
- Introduction to High Performance Computing - 10-week Autumn term course covering a range of topics in scientific computing
- - November 8th, 2017 (14:00 - 16:00), ICT training room 204, Central Library
- - November 9th, 2017 (14:00 - 16:00), ICT training room 204, Central Library
- part 1 - November 24th, 2017 (14:00 - 16:00), ICT training room 204, Central Library
- part 2 - November 29th, 2017 (14:00 - 16:00), ICT training room 204, Central Library
- - December 7th, 2017 (14:00 - 16:00), ICT training room 204, Central Library
- - December 8th, 2017 (14:00 - 16:00), ICT training room 204, Central Library
- - December 11 and 12, 2017 (10:00 - 17:00), Sir Ernst Chain building 311, South Kensington campus
- - December 12-14, 2017 (3 full days 09:00 - 16:00), ICT training room 204, Central Library
SUMMER 2017
- - May 24, 2017 (14:00 - 16:00), room 402 CDT space, Central Library
- - May 25, 2017 (14:00 - 16:00), room 402 CDT space, Central Library
- Research data and software management workshop - June 6 , 2017 (14:00 - 16:00), room 402 CDT space, Central Library
- - June 12-13, 2017 (two full days)
- - June 26 - 30, 2017
- - June 26, 2017 (14:00 - 17:00) ICT training room 204, Central Library
- Data analysis with Python - August 17, 2017, (13:00 - 17:00) Huxley 410
- - September 5, 2017 (14:00 - 16:00), SALC 7, Sherifield 5th floor
- - September 18-22, 2017, SAF 121, 122
SPRING 2017
- - January 13th, 2017 (14:00 - 16:00), ICT training room 204, Central Library
- - January 19th, 2017 (14:00 - 16:00), ICT training room 204, Central Library
- - January 23rd, 2017 (14:00 - 16:00), ICT training room 204, Central Library
- (R, bash and Git) - January 26-27, 2017 (10:00 - 17:00), ICT training room 204, Central Library
- - February 2nd and 6th, 2017 (13:00 - 17:00), ICT training room 204, Central Library
- - February 9th, 2017 (14:00 - 16:00), ICT training room 204, Central Library
- - February 28th, 2017 (14:00 - 16:00), ICT training room 204, Central Library
- - March 2nd, 2017 (14:00 - 16:00), ICT training room 204, Central Library
- - March 3rd, 10th and 17th, 2017 (14:00 - 16:00), ICT training room 204, Central Library
- - March 30th, 2017 (14:00 - 16:00), ICT training room 204, Central Library
- - March 31st, 2017 (14:00 - 16:00), ICT training room 204, Central Library
AUTUMN 2016
- - semester class
- (including two day introductory MPI workshop) - 26th to 30th September, 2016, Huxley
- Scientific computing with Matlab - 4th October, 2016 (14:00 - 18:00), room TBA
- - 17th October, 2016 (14:00 - 17:00), RSM G08
- - 20th October, 2016 (14:00 - 16:00), ICT training room 204, Central Library
- - 10th November, 2016 (14:00 - 16:00), ICT training room 204, Central Library
- - 24th November, 2016 (14:00 - 16:00), ICT training room 204, Central Library
- - 15th December, 2016 (14:00 - 16:00), ICT training room 204, Central Library
SUMMER 2016
- - 13th May, 2016
- - 23th and 24th May, 2016
- Bash shell scripting - 7th June, 2016
- - 9th June, 2016
- Solving optimization problems with Matlab - 16th June, 2016
- Research data management workshop - 23th June, 2016
- Guide to HPC at 911今日黑料 - 27th June, 2016
SPRING 2016
- Scientific computing with Matlab
- Guide to HPC at 911今日黑料
- Bash shell scripting
- Essential programming tools - Git version control sytem, GCC compiler collection and make utility
- Introduction to the command line - class for students new to the Linux command line interface
AUTUMN 2015
SPRING 2015
SLIDES AND MATERIALS
Slides and materials for past classes are available on the following .
Contact us
Email cmhub@imperial.ac.uk.