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Atomistic stream


The Atomistic stream of the MPhil in Scientific Computing offers training and research for the numerical simulation of materials.


Students following this stream should have a first degree in a science or technology discipline such as mathematics, physics or engineering.

Recommended reading


Lecture Courses

Typically, students who are part of this stream are expected to attend the following lecture courses:

  • Numerical Analysis, Fundamentals, Non-Linear Systems & Interpolation
  • Foundation Course in Quantum Mechanics and Solid State Physics
  • Electronic Structure (Theory of Condensed Matter)
  • Introduction to Materials Modelling
  • Atomistic Modelling of Materials
  • GPUs for Scientific Computing
  • Scientific Programming in C++
  • Message Passing Interface (MPI)
  • OpenMP
  • Introduction to Linux
  • Computational Hardware
  • Software Design
  • Programming for Power-efficient Computing


to sit the following examination papers:

Paper 1: Fundamentals in Numerical Analysis (12hrs, 2units).

Paper 5: Electronic Structure (24hrs, 4units).

Paper 6: Atomistic and Quantum Mechanical Modelling of Materials (12hrs, 2units).

Research Projects

Sample research project titles and supervisors include: