Postgraduate Programs 2022/23
Master of Philosophy and Doctor of Philosophy Programs in Chemistry - Scientific Computation Concentration
Award Title

Master of Philosophy in Chemistry (Concentration: Scientific Computation)
Doctor of Philosophy in Chemistry (Concentration: Scientific Computation)

Program Short Name

MPhil(CHEM) - SC

Mode of Study

Both full- and part-time

Normative Program Duration


Full-time : 2 years
Part-time : 4 years



Full-time : 3 years (with a relevant research master’s degree), 4 years (with a bachelor’s degree only)
Part-time : 6 years

Offering Unit

Scientific computation is among the fastest-growing multidisciplinary research area and it serves as a bridge between the traditional domains of theoretical and experimental sciences. Computation research covers many areas in science and engineering. The multidisciplinary nature of computational science and its wide-ranging scope means that its training and research can best be integrated into different disciplines to equip students with a solid foundation of the knowledge in focused areas. This concentration is intended for research postgraduate students who are interested in pursuing research in computation related research. Students can enroll in a particular discipline for research with a special focus in Scientific Computation.


The Scientific Computation Concentration is open to research postgraduates in the School of Science and the School of Engineering.

The Scientific Computation Concentration is designed to equip students with a solid foundation of the knowledge in different disciplines with following research foci.


Research Foci

Computational Biology and Bioinformatics

  • Computational structural biology
  • Bioinformatics
  • Computational neuroscience models of multi-sensory integration and motion sickness


Computational Fluid Dynamics and Soft-Matter Simulation

  • Multi-scale phenomena at fluid-solid interfaces
  • Kinetic methods for continuum and near-continuum flows
  • Multi-scale coupled circulation-ecosystem simulation in the ocean
  • Supersonic convection and radiation-convection transition in astrophysics
  • Large-scale flow structures and their effects in turbulent thermal convection
  • Phase transitions in colloids


Computational Material Science

  • Discovery and design of wave-functional meta-materials and photonic crystals
  • Catalyst design
  • First principles and phenomenological modeling of nanomaterial
  • Spin dynamics in nanostructures
  • Dislocation dynamics


Efficient High-performance Computing Systems

  • Energy and cost efficient computing systems
  • Merged scale-up and scale-out computing systems for HPCs and data centers


Environmental and Atmospheric Modeling

  • Real-time air quality analysis
  • Development of an operational air quality prediction system
  • Numerical investigation of air pollutant inception: the role of humidity
  • Collisions and diffusion of water clusters on hydrophilic and hydrophobic surfaces for chip/device cooling
  • Multiscale simulation of thermal conductivity of nanomaterials for thermal management


High Performance Computing and Data Analysis

  • High-performance deep learning
  • Big data analytics


Information Statistical Physics and Big Data Analysis on Networks

  • Stability, reliability and robustness of power grids
  • Social network: dynamics of opinion formation and community detection
  • Random walk and games
  • Analysis of big data using evolution computation and quantum genetic algorithm
  • Agent dynamics and artificial life in econophysics
  1. Concentration Requirements

    The common requirements for the Scientific Computation concentration are: 

  1. MPhil: Complete a minimum of 7 credits from the following course lists.
    PhD: Complete a minimum of 10 credits from the following course lists.

    The credits earned under the concentration will be counted toward the total credit requirements of the programs.

    Core Courses

    MPhil: at least 3 credits
    PhD: at least 6 credits

    All students must take MATH 6915 and MATH 6916. Credits earned from MATH 6915 can be repeated for up to 2 credits.


COMP 5112
CIVL 5390
orMECH 5930
CSIC 5011
CSIC 5031
MATH 5311
MATH 6915
MATH 6916


Elective Courses


CHEM 5210
CHEM 5220
COMP 5212
COMP 5213
COMP 5331
COMP 5421
CSIC 5190
ELEC 5810
ELEC 5140
MATH 5350
MATH 5411
MATH 5431
MECH 5230
MECH 5280
MSDM 5004
PHYS 5120


  1. Conduct research in the area of scientific computation.


  1. Program Requirements

On top of the concentration requirements, students are required to follow the program requirements stipulated for the respective MPhil and PhD programs:



Last update: 6 August 2021

To qualify for admission, applicants must meet all of the following requirements. Admission is selective and meeting these minimum requirements does not guarantee admission.


1. General Admission Requirements of the University
  • Applicants seeking admission to a master's degree program should have obtained a bachelor’s degree from a recognized institution, or an approved equivalent qualification;

  • Applicants seeking admission to a doctoral degree program should have obtained a bachelor’s degree with a proven record of outstanding performance from a recognized institution; or presented evidence of satisfactory work at the postgraduate level on a full-time basis for at least one year, or on a part-time basis for at least two years.

2. English Language Admission Requirements

Applicants have to fulfill English Language requirements with one of the following proficiency attainments:

  • TOEFL-iBT: 80*

  • TOEFL-pBT: 550

  • TOEFL-Revised paper-delivered test: 60 (total scores for Reading, Listening and Writing sections)

  • IELTS (Academic Module): Overall score: 6.5 and All sub-score: 5.5

* refers to the total score in one single attempt

Applicants are not required to present TOEFL or IELTS score if

  • their first language is English, or

  • they obtained the bachelor's degree (or equivalent) from an institution where the medium of instruction was English.

Apply online before the application deadlines.


Application Deadlines


Application Deadlines

For Hong Kong PhD Fellowship (HKPFS) Application (for PhD studies only):

Step 1 deadline at RGC (to obtain an HKPFS reference no. from RGC):
1 Dec 2021 (12noon, GMT+8)
Step 2 deadline at HKUST:
1 Dec 2021 (11:59pm, GMT+8)

Details please refer to

For 2022/23 Fall Term Intake (commencing in Sep 2022):

Non-local Applicants*
Full-time: 1 Jun 2022

Local Applicants
Full-time: 15 Jul 2022
Part-time: 15 Jul 2022

For 2021/22 Spring Term Intake (commencing in Feb 2022):

Non-local Applicants*
Full-time: 1 Nov 2021

Local Applicants
Full-time: 15 Dec 2021
Part-time: 15 Dec 2021

 * Applicants are considered as non-local students if they hold (i) student visa/ entry permit; or (ii) visa under the Immigration Arrangements for Non-local Graduates (IANG); or (iii) dependent visa/entry permit who were 18 years old or above when they were issued with such visa/ entry permit by the Director of Immigration. For details on student visa/ entry permit requirements, please click here.