In this blog post, we will explore what computational science is and why it plays an essential role in modern science and technology.
These days, we often hear terms such as computational physics, computational chemistry, and computational biology. Even if the term computational science is not used, there are many important studies that utilize it. On February 11, 2016, the detection of gravitational waves made headlines around the world, and this achievement can be attributed to 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 understand ‘computing’ and “science,” and why is it important?
According to the Korea Institute for Advanced Study (KIAS), a government-funded research institute under the Ministry of Science and ICT, computational science is “a field of study that systematically solves complex problems involving theories and large-scale calculations in various fields of science and technology using pure basic science theories and computers.” In the past, science consisted of two elements: theory (hypothesis) and experiment. If experimental results aligned with a hypothesis, it became a theory. While calculations were not entirely absent in the past, their role was merely supplementary. However, the status of calculations has significantly changed today. Science, which previously operated on the two wheels of “theory” and “experiment,” now incorporates the additional elements of ‘calculation’ and “simulation.”
This change was greatly influenced by the development of computers. With the advent and advancement of computers, astronomical calculations that were once impossible became feasible, enabling the construction of virtual laboratories (simulations). This allowed researchers to achieve desired results with significantly less investment (e.g., time and money) compared to actual experiments. Furthermore, research at the atomic and molecular levels, or conversely, research at the cosmic level, which was difficult to conduct through traditional experiments and observations, can now be overcome through computational science. Additionally, experiments that could not be conducted due to ethical issues can be freely carried out on computers.
For example, in reality, it is impossible to marry two specific individuals of opposite sexes and have them produce children according to the researcher’s will, but on a computer, there is no problem combining and analyzing the genetic information of two specific individuals. Computational science manifests itself in various forms depending on the field in which it is applied. Therefore, it is fundamentally multidisciplinary in nature.
Regardless of the field of application, computational science requires basic knowledge in areas such as numerical analysis (mathematics), computer algorithms (computer science), and statistical processing of information, as well as tools such as high-speed, large-scale computing (represented by parallel supercomputing), simulation, modeling, visualization, and data analysis. When these computational scientific methodologies are combined with the principles and knowledge of the field in which they are applied, a new field called computational science is born.
So, in which fields can computational science be applied? It can be applied to any field where computation is possible. It can be applied not only to natural sciences but also to engineering, finance, and economics. Let’s look at an example of computational biology, a field of computational science, and more specifically, computational neuroscience. Neuroscience is a field that studies the nervous system, including the human brain, and computational neuroscience focuses on studying the brain’s functioning related to cognition, experience, and behavior. Since humans have over 100 billion neurons, it is currently difficult to keep up with the astronomical computational capacity required, but research has advanced to the point where Caenorhabditis elegans, a nematode with approximately 300 neurons, can be programmed on a computer, and programmed robots can replicate the same behavior as the actual organism.
Since computational science is not only at the core of 21st-century academia but also a cornerstone of high-value-added industries, advanced nations are making significant investments in this field. As early as the 1950s and 1960s, research institutions in the United States began establishing computational science departments (the origins of computational science trace back to nuclear weapon development), followed by the United Kingdom, Germany, and Japan, where computational science also gained momentum. In Korea, the Collaborative Program in Computational Science was established at Seoul National University in 2004. Despite the fact that many research areas, such as the discovery of gravitational waves, utilize computational science, there are still many people who are unfamiliar with it. It is necessary to pay more attention to computational science, which has established itself as an important methodology across a wide range of academic fields.
