The education and scientific research sector relies on HPC to push the boundaries of discovery in fields like high-energy physics and molecular dynamics. Simulations now break through the physical and financial limits of traditional labs, fast-tracking theoretical breakthroughs. Today, AI acts as a catalyst for a research paradigm shift, streamlining complex simulations and data processing. With the Kunpeng HPC Solution, high performance meets accessibility. By fusing heterogeneous computing resources, Kunpeng empowers the next era of scientific exploration and AI for Science (AI4S) practices.
Industry Overview
Application Scenarios
Molecular Dynamics (MD)
MD is a multi-body computer simulation method used to analyze the physical movement of atoms and molecules. By allowing these particles to interact over time, MD provides a dynamic view of system evolution. This capability is crucial for discovering new therapeutic compounds, testing known drug combinations to better treat cancer and other diseases, and developing novel polymer materials for the textile and industrial sectors. Currently, GROMACS, LAMMPS, AMBER, and NAMD have been ported to the Kunpeng platform, providing better performance.
Quantum Chemistry
Quantum chemistry applies quantum mechanics to chemical systems. It studies the structures and properties of stable and unstable molecules, the relationship between structures and properties, and the various interactions, collisions, and reactions between molecules. By employing ab initio and semi-empirical methods on an HPC platform, researchers accurately calculate and study the energy and structures of molecules, transition states, chemical bonds, and reactions. Currently, Gaussian and CP2K have been ported to the Kunpeng platform.