Testimonials

Using several classical Molecular Dynamics simulations, the group examined characteristics such as thermal stability, surface effects, ion-ion and ion-solvent interactions and ion dynamics in (Adpn)2LiPF6. The calculations and simulations also provided a quantitative measure of ion transport under various conditions and explained the various observations seen from experiments performed by the collaborators.

Computational studies, leveraging the power of the Param Shakti facility, enabled us to perform extensive molecular dynamics simulations, and have been instrumental in elucidating the fundamental roles of side-chains, functional groups, and solvents in governing the self-assembly and emergent properties of these sophisticated supramolecular polymer architectures.

Focusing on dopamine and glucose detection, DFT calculations, enabled by Param Shakti, provided insights into electronic property changes upon adsorption. These insights significantly enhanced sensor performance, achieving a low detection limit of 10 nM for dopamine and significantly improving the accuracy and sensitivity of the glucose sensor.

Leveraging Param Shakti’s advanced capabilities, we gained deep mechanistic insights, leading to the rational design of highly efficient and selective catalysts. These insights were critical for understanding catalyst-substrate interactions and streamlining synthetic protocol development.

Leveraging the exceptional computing power of PARAM Rudra, we conducted scalability studies of our advanced MPI-OpenMP-based fusion plasma kinetic particle-in-cell code (G2C3). These studies, simulating microturbulence in tokamaks with up to 4.2 billion particles across 300 nodes, showcased the system’s remarkable capabilities. The seamless support and expertise of the highly skilled C-DAC team in optimizing and executing our code were instrumental in achieving this milestone—our heartfelt appreciation to them!