Currently, computational setup is based on an Intel i3-12100 processor, equipped with 32 GB of RAM and approximately 2 TB of SSD storage, along with an additional 5 TB HDD for extensive data storage. This configuration has allowed us to perform moderately intensive computational calculations, including molecular modeling, quantum chemistry simulations, and electronic structure calculations. The combination of SSD for faster data access and the large HDD for archiving and backups provides a balanced system for handling medium-scale computational tasks efficiently.

However, to meet the growing demands of more complex and resource-intensive simulations, we are in the process of upgrading our system to a more powerful Intel i9 13th Gen processor. This upgrade will significantly enhance our computational capabilities by offering greater processing power, higher core count, and improved multi-threading performance. Along with a potential increase in RAM and enhanced storage solutions, this upgrade will allow us to handle larger systems, perform more advanced density functional theory (DFT) calculations, and execute parallelized simulations more effectively. This new system will ensure faster computations and better performance for high-level simulations, particularly for material modeling, electronic structure, and molecular dynamics calculations.

We are soon upgrading our resources by adding a dedicated workstation specifically designed for handling computational calculations of large systems. This setup will be optimized for demanding tasks such as DFT (Density Functional Theory) and ab initio methods, which require significant computational power and memory resources. By enhancing our infrastructure, we aim to efficiently support large-scale simulations and calculations across various scientific fields.

Moreover, we plan to make this system accessible to remote users. This will allow individuals or researchers who may lack access to high-end computational resources to utilize our workstation at a lower cost. By providing this service, we hope to foster collaboration and make computational research more affordable and accessible, enabling more users to perform complex calculations without the burden of acquiring expensive hardware.