COSINE: Nodes in the network

Node 1, University of Heidelberg (UHEI) is the coordinating node, led by Andreas Dreuw (b. 1972). UHEI sees itself as a research university with a strong international orientation. The two ESRs of P1 will work at the Interdisciplinary Center for Scientific Computing (IWR) and be enrolled in the “Heidelberg Graduate School for Mathematical and Computational Methods in the Sciences” (HGS MathComp) funded within the German Excellence Initiative. The HGS MathComp offers a wide range of block training courses, to which COSINE will resort for its training activities. The group of A.D. owns a computer cluster (15 nodes with 16 cores each), has access to the IWR compute server and the (273 Tera-Flop/s) Computational Chemistry Cluster JUSTUS run by the HPC center of the state Baden-Wuerttemberg.

Node 2, KTH Royal Institute of Technology (KTH) in Stockholm, led by Patrick Norman (b. 1968), will hire two ESRs. KTH is Sweden’s largest technical university with 4,900 employees, including 300 full professors. The two ESRs of KTH will be working at the Department of Theoretical Chemistry and Biology at the AlbaNova University Center. HPC resources and programming expertise are provided by the PDC Supercomputer Center at KTH and by the National Supercomputer Centre at Linköping University. The group is the largest and most dynamic research group in Swedish theoretical chemistry with 5 full professors, 9 senior researchers, around 15 postdocs, and a large number of PhD students––all contributing to the aggregated expertise in the COSINE network.

Node 3, Ludwig Maximilian University of Munich (LMU), led by Christian Ochsenfeld (b. 1968), will hire two ESRs. LMU is the leading teaching and research university in Germany, ranking 1st in Germany in the latest Times Higher Education World University Ranking. The two ESRs of LMU will be working at the Department of Chemistry, within the Theoretical Chemistry division. The division owns a local computer cluster, and has access to local HPC centers LRZ Munich and Leibniz Supercomputing Center Munich.

Node 4, Scuola Normale Superiore (SNS) in Pisa, led by Chiara Cappelli (b. 1972), will hire two ESRs. The Academic Ranking of World Universities rates the SNS among the top six universities in the world and the second in Europe according to per capita performance. C.C. is Director of the SMART Lab at SNS, which has dedicated administrative staff and office spaces, as well as its own HPC center. The two ESRs will be enrolled in the PhD School at SNS and will follow the PhD program “Methods and Models for Molecular Sciences”, of which C.C. is part of the advisory board. C.C. will coordinate the activities in WP4.

Node 5, University of Southern Denmark (SDU) in Odense, led by Jacob Kongsted (b. 1975), will hire one ESR. SDU is the third largest university in Denmark with more than 27,000 students and 4,000 employees. The ESR will work at the Department of Physics, Chemistry and Pharmacy and will be enrolled at the Natural Sciences PhD school at SDU. SDU is hosting the Danish National HPC center providing access to HPC for researchers in all areas. J.K. will coordinate the activities of WP2.

Node 6, L'Ecole Nationale Superieure de Chimie de Paris (ENSCP), led by Ilaria Ciofini (b. 1973), will hire one ESR. ENSCP is the best (according to national ranking) French chemical engineering school with the mission of enhancing chemical engineers’ education with training through research, to be in tune with the needs of industry. The ESR will work within the Theoretical Chemistry and Modelling group at ENSCP. The group has access to the computational resources of the regional computing center MesoPSL and to the French National Computing Center made available by GENCI (IDRIS and CINES).

Node 7, Norwegian University of Science and Technology (NTNU) in Trondheim, led by Henrik Koch (b. 1964), will hire two ESRs. NTNU is the leading technical university in Norway, with about 39,000 students and more than 6,000 employees. The two ESRs will be enrolled in the PhD program of the Department of Chemistry and work at the premises of the Applied Theoretical Chemistry group. The group counts 5 Full Professors and 2 Associate Professors. Computer resources are available through the NOTUR National Supercomputer Center. P7 will also coordinate WP6 dedicated to Outreach and Dissemination.

Node 8, Technical University of Denmark (DTU) in Lyngby, led by Sonia Coriani (b. 1968), will hire two ESRs, who will be enrolled in the PhD program of DTU Chemistry and work in the Theoretical, Computational and Femto-Chemistry Division of the Section for Physical and Biophysical Chemistry. With its 5,800 staff and 10,600 students, DTU provides internationally leading research, education, innovation and scientific advice, is ranked 6th in Europe on the Engineering list. DTU Chemistry counts 140 employees, incl. 28 faculty members. The necessary computational resources are available through the DTU Computing Center DCC, namely the Central High Performance Computing Cluster and Dyna clusters. S.C. will coordinate the activities of WP3; P8 is also in charge of the COSINE data-management.