Professional Documents
Culture Documents
Computational methods
Lecturer:
Dr Thomas Archer
Office: Lloyd 221
Phone: 8455
E-mail: archert@tcd.ie
http://www.tcd.ie/Physics/people/Tom/Archer/teaching
● Coding grammar
● Development tools
– (re)Introduction to Linux
– Version control
Why computational modelling?
Physics now
Solution to physical models
● Newtons laws of motion or relativity
– Classical motion of objects
● Quantum mechanics
– describes atoms, molecules, all of chemistry, solids ….
– chaotic
● Astrophysics
● Galaxy formation
●
Solar weather
● chaotic
● Usually classical mechanics but probably requires QM or relativity
– Aerodynamics
– Optimization problems
Atomistic modelling
● Described almost exactly by quantum theory
– Solids
– Describes all chemistry
– Physical properties
– Optical properties
– Magnetic properties
– Biological processes
– Electronic transport
● Computationally expensive
– Small systems
– Numerical approximations
– Reduce complexity – periodicity in solid sate physics
– ~10,000 atoms possible as of 2013
Atomistic modelling examples
● Bulk materials – use periodicity - solid state physics
Bulk Al
Time Magazine
What does more power allow us to do
● Reduce approximations
● Run more detailed calculations
● Study larger systems
● Study larger numbers of systems – High-throughput computing/big data
Growth of big data
● Available data rapidly
growing
● Not just an internet full of
selfies
● Scientific databases are
becoming readily
available
● How do we make sense
of it.
– Identifying trends leads to
new science
Physics future
Transferable skills
Coding Grammar
● Grammar if you can write a flow chart you can turn it into a code
● Universal grammar - Common to all languages
● Syntax can always be quickly looked up
ALL OF THEM!
Linux
Linux
● GNU licence – free to download change and redistribute.
● Safe/secure – no viruses.
● Most new developments are built on top of Linux/UNIX.
● You have total control and scripting is built in.
Linux modular design
Linux distributions