Research Projects¶
Biomedical Visualisations¶
I am a first-year PhD student at the School of Medicine, specializing in the computer modeling of biomolecular systems using molecular dynamics (MD).
In my research, I rely on GROMACS and Amber engines. The calculations in both packages are CUDA-accelerated and strictly require NVIDIA GPUs. My MD trajectories were computed using NVIDIA V100 GPUs on the Shabyt HPC cluster, as well as my personal home setup with two RTX 40 and RTX 50 series cards.
As a hobby, I create eye-catching video visualizations of my simulations.
Semen Baldin
1st year PhD student, NUSOM
Atomic Simulations for Carbon Management¶
HPC-enabled large-scale atomic simulations serve as a cornerstone for the development and optimization of next-generation carbon management technologies. By leveraging the massive parallel processing power of exascale supercomputers, researchers can model materials and chemical interactions at the quantum and molecular levels with unprecedented scale and accuracy. This accelerates the discovery of breakthrough solutions needed to meet global net-zero targets.
Dias Bekeshov
Ion Irradiation in SiC: Molecular Dynamics¶
Here is a visualization of our simulations: an ion-irradiation molecular dynamics simulation of the nuclear cladding material, SiC.
Kairolla Sekerbayev