Welcome to the Computational-Condensed-Matter-Physics-Laboratory (CCMPL)
Department of Physics, TaiYuan University of Technology, TaiYuan, China
CCMPL focus on quantum mechanics, theoretical condensed matter physics, material simulation, computational methods, and high-performance computer designing.
Department of Physics, TaiYuan University of Technology, TaiYuan, China
CCMPL focus on quantum mechanics, theoretical condensed matter physics, material simulation, computational methods, and high-performance computer designing.
Quantum Mechanics
Quantum mechanics, also known as quantum physics or quantum theory, is an important branch of physics dealing with physical phenomena where the action is of the order of Planck constant. Quantum mechanics departs from classical mechanics primarily at the atomic and subatomic scales. Quantum mechanics governs the microscopic world.
CCMPL work on the basic theory of quantum mechanics, that is, direct solution of Schrödinger Equation (SE), not only for single-body system (like free electron) but also for many-body system (like multi-electron atom).
CCMPL work on the basic theory of quantum mechanics, that is, direct solution of Schrödinger Equation (SE), not only for single-body system (like free electron) but also for many-body system (like multi-electron atom).
Theoretical Condensed Matter Physics
Condensed matter physics deals with the physical properties of condensed phases of matter. These properties appear when a number of atoms interact strongly and adhere to each other or highly concentrated in a system. The most familiar examples are solids and liquids. Starting at the microscopic level with the SE, many properties of materials can now be calculated with a high degree of accuracy. CCMPL work on developing new methods and applying them to new problems in physics, chemistry, material science and biology.
Material Simulation
Utilizing ab-initio methods based on quantum mechanics, properties of material can be calculated and computer-experiments can be realized. Density functional theory (DFT) is used to study the electronic band structure, density of state, charge transfer, population analysis, and STM image. Density functional perturbation theory (DFPT) is used to study the phonon dispersion relationship, vibration mode, heat capacity, infrared spectrum, and raman spectrum. Non equilibrium green's function (NEGF) method is used to study the ballistic transport properties. Boltzmann transport theory is used to study the dispersive transport properties. Molecular dynamics (MD) is used to study the thermal properties and the stability of systems. Time dependent density functional theory (TDDFT) is used to study the excited state and dynamics of material.
CCMPL work on promoting the understanding and prediction of material behaviour at scales from
atomistic to mesoscopic through modelling and simulation.
CCMPL work on promoting the understanding and prediction of material behaviour at scales from
atomistic to mesoscopic through modelling and simulation.
Computational Methods
Full Configuration Interaction (FCI) and Quantum Monte Carlo (QMC) are accurate to predict properties of material, but they are limited by the speed of calculation. To improve the stability and the speed of algorithms used in ab-initio programs, CCMPL work on new techniques and new methods to promote the ability of material simulation.
High-Performance Computer Designing
High-Performance Computer (HPC) means a computer with high performance. ^_^
CCMPL work on designing new methods to increase the thermal diffusion speed and to improve the stability of computation in a HPC system (from desktop-HPC to supercomputer). The electromagnetic radiation protection (EMRP) is also considered in the designing.
CCMPL work on designing new methods to increase the thermal diffusion speed and to improve the stability of computation in a HPC system (from desktop-HPC to supercomputer). The electromagnetic radiation protection (EMRP) is also considered in the designing.