Research Group

About Our Computational Condensed Matter Physics Research Group

Our research group focuses on cutting-edge computational methods to explore the quantum properties of condensed matter systems. By employing advanced simulation tools and leveraging high-performance computing, we aim to uncover new insights into materials' behavior at the atomic and electronic levels. Our research spans across a variety of materials, from nanostructures to superconductors, providing theoretical support for experimental findings.

Computational Codes

We utilize a variety of powerful computational tools that enable us to perform complex simulations with high accuracy. The following computational codes are central to our research:

VASP

The Vienna Ab-initio Simulation Package (VASP) is widely recognized for its ability to perform quantum mechanical calculations based on density functional theory (DFT). VASP allows us to simulate the electronic structure, molecular dynamics, and vibrational properties of materials, offering deep insights into their physical characteristics.

SIESTA

SIESTA is a powerful DFT-based code that is highly efficient for large systems, such as nanomaterials and biomolecules. It uses optimized basis sets and pseudopotentials to perform simulations with reduced computational requirements while maintaining high accuracy.

Quantum Espresso

Quantum Espresso is an open-source software suite that provides an extensive range of tools for electronic-structure calculations and materials modeling. Its versatility and scalability make it a popular choice for simulating a wide range of materials, including metals, insulators, and semiconductors.

Computing Cluster

To support our extensive computational needs, we have access to two high-performance computing clusters. Each cluster is equipped with 40 processors, providing a total of 80 processors for parallel computations. We use SLURM as the workload manager, ensuring efficient job scheduling and resource allocation. This robust infrastructure enables us to tackle large-scale simulations, improving the speed and accuracy of our research.