Frontier Technology

Computational Sciences

Computers have become indispensable in modern society. In our homes and offices, they are a central part of communications and entertainment. More significantly, they are at the heart of recent advances in the boundaries of human knowledge, leading to such achievements as new drugs and technologies and a better understanding of market and supply chains, biological systems, and other complex entities.

However, there are still many challenges on the horizon where faster computers and better programmes could help. Current computer technologies can process billions of calculations per second, but further advances in computational sciences could bring us a step closer in the search for alternative or renewable energy sources, or a better understanding of cancer.

"Invariably, the use of computers for the solution of complex problems requires the development of efficient algorithms," said Professor W.C. Chew of the Faculty of Engineering and co-convenor of the Computational Sciences research theme.

"Faster computers and efficient algorithms enable the computation and simulation of many phenomena and processes within a reasonable turnaround time. The data generated can be used to answer some of the pressing questions in scientific enquiry, and aid in engineering designs."

The Computational Sciences research theme is addressing this and other challenges by combining expertise in science and engineering to investigate ways to improve computational technology.

In recent years our researchers have established a Centre of Theoretical and Computational Physics, an Advance Modelling and Applied Computing Laboratory and an Electromagnetic Laboratory, and published more than 200 papers. That background will strengthen the possibilities for generating new knowledge.

"This research area will stimulate cross-pollination of ideas between many different disciplines in science, medicine and engineering," said Professor F.C. Zhang of the Department of Physics and co-convenor of this research theme.

The focus for the coming few years will be on key areas that draw on wide-ranging expertise:

Speeding up computing

Mechanical simulations enable us to develop virtual prototypes of anything from new drugs to new computers. Their scale can vary wildly, from a few atoms to macroscopic level. "Faster, advanced computational algorithms would enable more complex multi-scale modelling to be carried out," Professor Chew said.

Academics in the Departments of Electrical and Electronic Engineering, Mechanical Engineering, Chemistry and Physics are working on this challenge. They are trying to develop computer hardware and software that could help to solve problems orders of magnitude faster than existing methods. Their advances may mean problems that currently require supercomputers to solve could be handled by personal computers.

Making better materials

Materials science is intensely interdisciplinary. Our Physics and Chemistry scholars are collaborating to investigate nanoscopic structures, in particular using molecular dynamics simulation to investigate the effects of heat generation on the mechanical properties of nanomaterials and non-electromechanical systems. They are also looking at how heat is transported through molecular devices at low temperatures. "This could lead to basic principles for reducing heating and making these devices smaller in future computer chips," said Professor J. Wang of the Department of Physics.

Managing money

Many insurance products are linked with the performance of equity or equity-index. "The valuation and risk management of these kinds of products requires financial knowledge and mathematical finance tools," said Dr W.K. Ching of the Department of Mathematics. Researchers in the Department of Statistics and Actuarial Science and the Department of Mathematics have a powerful portfolio optimisation kit and are working together on other related topics, such as option pricing, portfolio selection and insurance risk. Researchers in the Department of Statistics and Actuarial Science are also studying models for risk management and statistical arbitrage.

A new horizon: Quantitative synthetic biology

Quantitative systems biology is a new research direction at the University, combining synthetic biology and computational physics and chemistry to develop new or altered biological functions or systems. "This is an interdisciplinary field with great potential and HKU has the right components to develop a team on this to become one of the active players in the world," said Professor T.T. Hwa of the University of California, San Diego, a pioneer in the field who is working with HKU to develop this emerging area.

Convenor(s) and Key Members