The University of Vienna was founded in 1365. It is the oldest university in the German-speaking world and one of the largest in Central Europe. It is associated with 15 Nobel prize winners and has been the academic home to a large number of figures both of historical and academic importance. The University of Vienna is the largest Austrian research institution hosting 6,800 academics within 15 faculties and five centres, dedicated to both basic and applied research. Furthermore, 24 research platforms have been established to promote especially innovative interdisciplinary research projects. The University of Vienna was a successful participant in the European Commission’s Research Framework Programme 7 (FP7) and took part in 189 FP7 projects. The University of Vienna has so far been awarded over 160 Horizon 2020 projects (around 80 as Coordinator) and is implementing 34 ERC Investigator Grants.
Role in TREX
The research group of Anatole von Lilienfeld will develop and provide quantum machine learning models which can be trained and used throughout the TREX project as surrogate models of Quantum Monte Carlo results. The lab is the main developer of the QML code in which these methods have been implemented. Apart from the PI the lab currently consists of one senior researcher, eight postdoctoral students, and ten PhD students. The lab hosts an ERC Consolidator project relevant to TREX, “QML: Chemical Reactions with Unprecedented Speed and Accuracy” (2018-2023).
Relevant infrastructures and facilities
The von Lilienfeld lab has access to considerable CPU resources at UNIVIE to support and augment the QMC calculations in this project. More specifically, the Vienna Scientific Cluster (VS) UNIVIE’s centre for scientific computing currently hosts and maintains the VSC-4 cluster with nearly 800 modern compute nodes (reaching a theoretical peak performance of 3.7 PFlop/s). The research group has also just obtained more than 0.5 M Euro to purchase their own hardware. Furthermore, multiple powerful workstations (with up to 48 cores or up to 2 TB memory) are also available in the group’s offices.