The activities carried out at IQTCUB encompass the development of computational methods and tools, the application of various techniques in electronic structures, materials science, the study of reactivity and dynamics in chemical reactions, as well as biological systems and soft matter. According to its administrator, Jordi Inglés, the center employs more than 100 researchers of multiple nationalities and, prior to the new cluster, already boasted a total computing power of nearly 4,000 cores and 37TB of RAM.

In 2017, the institute received the María de Maeztu Prize, awarded by the Spanish State Research Agency, which also provided investment funding to expand the center's technical capabilities and enhance its research. This funding was used to increase both the data center and processing capacity, adding a new cluster, known as IQTC09, which has increased the number of computing cores by 40% and RAM by 70%. This additional capacity has allowed the institute to expand its research into new fields, including molecular dynamics, artificial intelligence, machine learning, 3D molecular structure design, and other applications designed for virtual environments that allow researchers to manage and interact in a 3D environment using virtual reality headsets.D-Link SIE Rack Computational Cluster Institute of Chemistry 2-w

The cluster comprises 1,664 cores at 2.9 GHz and 26 TB of RAM, deployed across 26 nodes developed by SIE Ladón, a partner of D-Link's VIP+ Channel Program. SIE (Sistemas Informáticos Europeos) is a company with over 30 years of experience specializing in HPC (High Performance Computing) solutions. It has already installed more than 20,000 HPC network cores, as well as 60 computing clusters in public and private research centers.

D-Link SIE Rack Computational Cluster Institute of Chemistry 3-wThe cluster nodes are based on Gigabyte platforms with AMD Rome processors. These nodes are integrated into a 10 Gigabit network connected via fiber optic cable to the outside for distribution to connected devices such as computers and desktop workstations. D-Link DXS-3400 switches, a family of 10 Gigabit Managed Layer 3 switches designed for Top of the Rack, Campus, and Data Center environments, were used for this purpose, as well as for distribution thanks to their physical stacking and high density of 10 Gigabit ports. Specifically, two DXS-3400-24TC. In a demanding network environment like a computing cluster, it was essential to have top-tier network switches with Layer 3 switching capabilities, especially given the implementation of routing within the switches themselves. This reduced the bottlenecks that a conventional router, designed for 20/80 traffic patterns, could create. Such a router typically forces most traffic to cross subnet boundaries, a common scenario in high-performance server farms or cluster systems where all users must access from their respective subnets. Thanks to features like Inter-VLAN Routing, VRRP Stacking, Lossless Ethernet (DCB) for ultra-low latency, Ethernet Ring Protection Switching (ERPS), and Switch Resource Management (SRM), the D-Link DXS-3400-24TC switches ensured the necessary performance for external access to the computing cluster. Redundancy was also a key factor, and to that end, the D-Link DXS-3400 features hot-swappable fans and power supplies, in addition to the ability to configure unit stacking (up to 4 switches) for redundancy. Regarding its management interface, it offers both a web interface and console port access for management using the standard command-line interface (Full CLI).D-Link SIE Rack Computational Cluster Institute of Chemistry 4-w

In September 2021, a new expansion was completed based on the D-Link DXS 3610-54T/SI switch (a family that evolves from the DXS-3400 with Open Flow and SDN, 10 Gigabit copper and fiber ports, as well as 40G/100G QSFP+/QSFP28 ports) and new GPUs. Following this upgrade, the system has gone from a CPU-only installation to one with 17 GPUs boasting over 330 TFlops of single-precision performance and more than 178,000 CUDA cores. Furthermore, the two clusters are interconnected by an HP ProCurve 5406 2L, allowing other university members to connect. Thanks to D-Link's SNMP management software, D-View 7, joint monitoring of the two clusters is possible.

was installed D-Link DGS-1210-48, a Smart Gigabit Switch with 48 Gigabit ports and full Level 2 management and Level 3 Lite with static routing.