COMPUTATIONAL MATERIALS SCIENCE LABORATORY
MISSION
To understand advanced materials, from micro- to macro-scales, and to accelerate the design and discovery of optimal materials and devices, for the research and development in advanced sustainable energy and environmental technologies.
The Computational Materials Science Laboratory studies advanced materials and devices by applying advanced computational techniques in materials theory, modeling & simulation, informatics, and machine learning to understand and predict properties of real materials, especially for energy-related applications.
RESEARCH AREAS
Large-scale atomistic simulations of non-equilibrium charge dynamics in materials for solar energy harvesting
Modeling of electronic, thermodynamic, lattice dynamic and transport properties of materials
Theoretical support of experiments addressing optical properties, photo- and thermal- induced charge separation, phase transition in materials and related phenomena
Modeling of diffusion
and thermal conductivity in solids
and thermal conductivity in solids
MEMBERS
- Yanwei Wang, PhDA/Professor and Lab Head
- Zhanibek Kozhirbayev, PhDSenior Researcher
- Sagyn Omirbekov, PhDSenior Researcher
- Azat Abdullayev, PhDLeading Researcher
- Kairolla Sekerbayev, PhD
Researcher
- Samal Kaumbekova, PhDResearcher