December 8, 2021

Budapest University of Technology and Economics

BME is one of the leading research universities of Hungary, especially in the field of science and engineering. BME is at place 700-800 in the 2018 QS ranking, and is ranked 28th on the QS Emerging Europe and Central Asia (EECA) list.

Quantum Chemistry group

Research in the group of Prof. László Nyulászi at the Department of Inorganic and Analytical Chemistry focuses on the quantum chemical simulation of organic and organometallic compounds and their reactivity.

Research Team

The Quantum Chemistry group at BME will host ESR6

Infrastructure

BME has a HPC computer cluster of 30 nodes, where each node contains 6-core Intel Xeon X5660 CPUs and 48GB memory. Furthermore the group has an own cluster with 12 nodes with 16-core CPU-s each. This is suitable for most of the necessary computations in CATCHY. The use of both clusters allows for the most flexible arrangement of the computational facilities. State-of-the art quantum chemical software is available (Gaussian, Quantum Espresso, CP2K). Purchase of the newest version of the Gaussian16 and TURBOMOLE program is in progress.
BME has good connections and cooperations with Furukawa Electric Institute of Technology (FETI).

Location