In this blog post, we will look at what computational science is and why it plays an essential role in modern science and technology.
These days, we often come across the term computational science, including computational physics, computational chemistry, and computational biology. Even without using the term computational science, there are many important studies that use it. On February 11, 2016, the detection of gravitational waves that made the world buzz was also the result of computational science. However, many people are still unfamiliar with the term computational science. So, what is the new meaning of “computational science” for those of us who know “computing” and “science,” and why is it important?
According to the Korea Institute for Advanced Study (KIAS), a research institute under the Ministry of Science, ICT and Future Planning, computational science is “an academic field that systematically solves problems involving complex theories and vast calculations that occur in various fields of science and technology using pure basic science theories and computers.” The science of the past consisted of two elements: theory (hypothesis) and experiment. If the hypothesis was consistent with the results of the experiment, it became a theory. Of course, there were calculations in the past, but the status of calculations has changed significantly from the past, when calculations were merely used as an auxiliary means. The two wheels of “theory” and “experiment” have now been joined by the elements of “calculation” and “simulation.”
The development of computers played a major role in this change. With the advent and development of computers, astronomical calculations that were impossible in the past became possible, making it possible to build virtual laboratories (simulations), which allowed the desired results to be obtained with much less investment (e.g., time and money) than conducting actual experiments. In addition, it is difficult to obtain results from classical experiments and observations for nanoscale research at the atomic and molecular levels or macro-level research at the cosmic level, but computational science enables us to overcome these limitations. In addition, experiments that could not be conducted due to ethical issues can be conducted freely on a computer. For example, in reality, a researcher cannot force two specific men and women to get married and have a child, but on a computer, there is no problem in combining and analyzing the genetic information of two specific individuals.
Computational science appears in various forms depending on the field in which it is applied. Therefore, it is basically multidisciplinary in nature. The common elements of computational science, regardless of the field in which it is applied, include basic knowledge of numerical analysis in the field of mathematics, computer algorithms in computer engineering, and statistical processing of information, as well as tools for high-speed, large-capacity computing, simulation, modeling, visualization, and data analysis, represented by parallel supercomputing. When this computational science methodology is combined with the principles and knowledge of the field in which it is to be applied, a new field called computational science is born.
So, in which fields can computational science be used? It can be applied to any field that can be calculated. In addition to the natural sciences, computational science can also be applied to engineering, finance, and economics. Let’s take a look at an example of computational neuroscience, a field of computational science. Neuroscience is a field that studies the nervous system, including the human brain, and computational neuroscience focuses on studying the brain’s operation related to cognition, experience, and behavior. Since there are more than 100 billion human neurons, it is difficult to keep up with the astronomical computing capacity at the current level, but the nematode worm (Caenorhabditis elegans) with about 300 neurons has developed to the point where it can be programmed on a computer and the actual creature and the programmed robot can perform the same actions.
This is why advanced countries are investing heavily in computational science, as it is not only the core of 21st century academic research but also the core of high value-added industries. Since the 1950s and 1960s, computational science departments have been established in research institutes in the United States (computational science began with the development of nuclear weapons), and computational science has since been revitalized in the United Kingdom, Germany, and Japan. In Korea, the Computational Science Cooperative Program at Seoul National University was established in 2004. Many of the research projects that have attracted our attention, such as the discovery of gravitational waves, are using computational science, but many people are unfamiliar with computational science. There is a need to pay more attention to computational science, which has become an important methodology across a wide range of disciplines.
