Seismologists are the first scientists to explore the power of advanced computer technology. Computational science is a rapidly growing multidisciplinary field that is used to understand and solve complex problems in physics, chemistry, engineering, biology, economics and medicine.

The Ton Duc Thang University research team (COMCHEM) uses quantum computing to discover new chemical compounds and phenomena. This has contributed to the study of some basic issues of modern chemistry. The COMCHEM team also studies about protein coil and drugs designed by computer by using MD simulations.

"In order to carry out these tasks, the COMCHEM team has tried to build a secure, reliable and stable high-performance computing (HPC) to meet the computational requirements of the task of the COMCHEM team in both classical and quantum computing", said Mr. Ngo Son Tung, PhD, a research fellow at COMCHEM.

Currently, the system consists of 05 compute nodes using 200 cores of Xeon E5 V3 with 376 GB of ECC RAM, 7.5 TB SSD / HDD and 4000 CUDA Pascal cores. The system achieves the maximum performance of 14.4 TeraFLOPS. Hence, there have been numerous simulations in computational chemistry and biological physics performed. For example more than 50,000 ns of MD simulations were used to search for steady states of trimer Aβ11-40, or DFT calculations for Si162Li54., and G4 method calculations for Al16Si (Fig. 1), ... ;. The results have been published in seven ISI papers in the following journals: Journal of Computational Chemistry [Impact factor 3.648], Physical Chemistry [Impact factor 4.449], Journal of Physical Chemistry C [Impact factor 4,509], Chemical Physics- Letters [H-index is 192, ranked 4/149 in the narrow field of physical chemistry and theory], ... Based on this computing resource, the COMCHEM team expects to publish at least 30 ISI articles in the next 02 years.