Researchers within this division, in collaboration with scientists from other divisions, will develop new algorithms to address the computational challenges in the modeling of many body quantum systems, optical and electrical property of materials from plasmonics and functional materials nano-structures, quantum optics and information, material under extreme conditions, plasma materials, chemical reactions, quantum phase transitions, and rare events, etc. 

The following algorithms are currently under investigations: ab initio calculations, DFT algorithms, quantum Monte Carlo methods, molecular dynamics simulations, non-equilibrium Green’s functions, GW approximations, Wigner kinetic transport, parallel and fast solvers for linear algebraic systems and hydrodynamic equations, multi-scale and deterministic and stochastic algorithms, image and data analysis, among others.

The division will maintain the daily operation of the TianHe2-JK supercomputer and provide software and system support to ensure the smooth execution of application codes from researchers in CSRC.