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SUMMARY:[ONLINE] Computational Spectroscopy: Hands-on Many-Body Calculatio
 ns with the Yambo Code
DTSTART:20260505T070000Z
DTEND:20260507T110000Z
DTSTAMP:20260419T115900Z
UID:indico-event-393@events.it4i.cz
CONTACT:training@it4i.cz
DESCRIPTION:\nThis course is organized in collaboration with MaX CoE and N
 CC Czechia.\nAnnotation\nThis school provides a path from many-body theory
  to advanced computational practice\, focusing on the approximation for 
 quasiparticle band structures and the Bethe–Salpeter Equation (BSE) fo
 r optical properties. Attendees will master the full Yambo workflow\, from
  ground-state processing to converged excited-state calculations and detai
 led exciton analysis. Practical sessions will emphasize HPC aspects\, te
 aching participants to leverage MPI/OpenMP parallelization and GPU-acceler
 ation to handle large-scale\, realistic materials on modern supercomputing
  platforms.\n \n\nLevel\nBeginner\, intermediate\nLanguage\nEnglish\nPrer
 equisites\nParticipants should have a background in Quantum Mechanics an
 d Solid State Physics\, along with a functional understanding of Density
  Functional Theory (DFT). Basic proficiency with the Linux command line 
 is required for navigating the HPC environment\, and familiarity with a DF
 T code (such as Quantum ESPRESSO) is highly recommended.\nTechnical requir
 ements\nParticipants must have a terminal emulator (e.g.\, Terminal on m
 acOS/Linux or PowerShell/CMD on Windows) and an SSH client to access the
  remote HPC machine (Karolina). Yambo will be preinstalled together with 
 the needed material to follow the tutorial. Plotting tool such as Gnuplot
  or Python with Matplotlib is required.\nTutors\nDr. Daniele Varsano is 
 a Senior Researcher at the CNR-NANO Institute of Nanoscience in Modena\, I
 taly. Dr. Varsano’s current research centers on the atomistic modeling o
 f nanostructured materials for applications in photovoltaics\, photocataly
 sis\, and optoelectronics\, with a particular interest in excited-state ph
 enomena and excitonic effects in low-dimensional systems. He is a senior d
 eveloper of the Yambo code for first-principles excited-state calculations
  and has co-organized numerous international schools and workshops. He ser
 ves on the Steering Committee of the European Theoretical Spectroscopy Fac
 ility\, leads Training Activities in the EU Centre of Excellence MaX (Mate
 rials at the Exascale)\, represents CNR in the EuroHPC project HANAMI as P
 rincipal Investigator\, and chairs the Psi-k Working Group on Training and
  Education.\nDr. Giacomo Sesti is a Post-Doc at CNR-NANO. His research int
 erests are screening properties of materials and electronic instabilities.
  He has published works on model studies and first-principle calculations.
  He is a developer of the Yambo code\, in particular he has contributed to
  the development of the W-av method for metals. He served as a tutor at tw
 o Yambo schools where CINECA high-performance computers were in use. He ha
 s been PI of one ISCRA-B project.\nDr. Andrea Ferretti works in the field 
 of condensed-matter and solid-state physics\, performing ab initio simulat
 ions at the level of DFT and Green’s function methods. Current research 
 interests the development of advanced methodologies for the electronic str
 ucture problem\, including spectral functionals and Green's function metho
 ds\, with interests in the electronic and optical properties of low-dimens
 ional systems (including 2D materials). Andrea Ferretti is senior develope
 r of the open source project Yambo and contributor to other scientific sof
 tware\, including Quantum ESPRESSO. Currently he is Chair of the MaX execu
 tive committee (www.max-centre.eu) and co-Leader of the Codes WP of the Na
 tional PNRR centre ICSC (www.supercomputing-icsc.it). He is author of abou
 t 80 scientific publications in international and peer-reviewed scientific
  journals (with more than 17500 citations\, h-index=37\, GScho\, January 2
 026). \nMatteo D’Alessio is a PhD student enrolled in the School of Phy
 sics and Nanosciences at the University of Modena and Reggio Emilia. His r
 esearch activity concentrates on the study of electronic structure propert
 ies with hybrid methodologies relying both on ab initio calculations and m
 odel approaches.\nDr. Claudia Cardoso is a permanent researcher at CNR-NAN
 O.Her current research interests are related to theoretical and computatio
 nal condensed matter physics\, focused on the ab initio (both DFT and many
  body perturbation methods) study of the electronic properties of 2D ferro
 magnetic insulators\, organic semiconductors and hybrid (organic-inorganic
 ) interfaces. She has participated in several research projects financed b
 y the Portuguese FCT and the Italian CNR and was PI of a project financed 
 by the Portuguese FCT. She was PI of several High Performance Computer gra
 nts\, including Extreme Scale from EuroHPC-JU\, Prace and ISCRA projects a
 t Cineca\, Italy and RES\, Spain and a member of the European Centre of Ex
 cellence MaX\, Materials design at the eXascale.\nDr. Nicola Spallanzani 
 is a research technologist at the CNR Institute of Nanoscience (CNR-NANO)\
 , working in high-performance computing (HPC) with a focus on parallel pro
 gramming and GPU acceleration of scientific software. He previously worked
  at CINECA\, where he developed expertise in HPC systems and scientific co
 mputing environments. He specializes in hybrid parallel programming (MPI +
  OpenMP) and heterogeneous architectures using CUDA Fortran\, OpenACC\, an
 d OpenMP offloading. He contributes to the development of the scientific c
 odes Quantum ESPRESSO\, Yambo and of the DeviceXlib library for memory off
 loading. He is also involved in the European Centre of Excellence MaX (Mat
 erials design at the Exascale)\, where he serves as a Yambo developer and 
 Technical Project Manager.\nDr. Fulvio Paleari is a Researcher at the Inst
 itute of Nanoscience (CNR-Nano) in Modena\, Italy. He works on both theore
 tical and computational methods for the study of the microscopic propertie
 s of materials\, using quantum many-body perturbation theory and first-pri
 nciples atomistic simulations. In particular\, he is interested in the ex
 cited-state physics of low-dimensional materials\, investigating the spect
 roscopy and dynamics of electronic excitations (excitons) and lattice vibr
 ations (phonons)\, with particular focus on their coupling. The modelling 
 of the properties of realistic materials is done first via code developmen
 t and then by running large-scale simulations on high-performance computin
 g (HPC) systems. Dr. Paleari is a developer of the “Yambo” many-body 
 code and the main developer of “Yambopy”\, its python-based interface.
  He is an active member of the European Theoretical Spectroscopy Facility 
 (ETSF)\, the Psi-k electronic structure community\, and the EU Center of E
 xcellence MaX (Materials at the Exascale) and the EuroHPC Hanami project.\
 nLubomír Říha\, Ph.D.\, is the Head of the Infrastructure Research Lab 
 at IT4Innovations National Supercomputing Center. Previously\, he was a se
 nior researcher in the Parallel Algorithms Research Lab at IT4Innovations 
 and a research scientist in the High-Performance Computing Lab at George W
 ashington University\, ECE Department. He received his Ph.D. and M.Sc. deg
 rees in Electrical Engineering from the Czech Technical University in Prag
 ue\, the Czech Republic\, in 2011\, and his Ph.D. degree in Computer Scien
 ce from Bowie State University\, USA. Currently\, he is a local principal 
 investigator of two EuroHPC projects: SCALABLE and EUPEX (designs a protot
 ype of the European Exascale machine). Previously\, he was a local princip
 al investigator of the H2020 Center of Excellence POP2 and H2020-FET HPC R
 EADEX projects and investigator of the FP7 EXA2CT project and the Intel Pa
 rallel Computing Center. He is also a co-founding developer of the ESPRESO
  finite element library\, which includes a parallel sparse solver designed
  for supercomputers with tens or hundreds of thousands of cores\, with sup
 port for GPU\, Intel Xeon Phi\, and other modern accelerators. His researc
 h interests are optimising HPC applications\, energy-efficient computing\,
  accelerating scientific and engineering applications using GPU and many-c
 ore accelerators\, developing scalable linear solvers\, parallel and distr
 ibuted rendering on new HPC architectures\, and signal and image processin
 g.\nFilip Vaverka holds a PhD degree in Computer Science from Brno Univer
 sity of Technology\, Czech Republic. He is currently a member of the Infra
 structure Research Lab at IT4Innovations National Supercomputing Center. H
 is research focuses on highly scalable pseudo-spectral methods\, accelerat
 ed and heterogeneous parallel computing. \n \n \nAcknowledgements\n \n
  \nMaX - Materials design at the Exascale has received funding from the E
 uropean High Performance Computing Joint Undertaking and Participating Cou
 ntries in Project (Czechia\, France\, Germany\, Italy\, Slovenia and Spain
 ) under grant agreement no. 101093374.\n \n\nThis work was supported by t
 he EUROCC3 project under grant agreement No 101306701. The project is supp
 orted by the European High-Performance Computing Joint Undertaking and its
  members (including top-up funding by the Ministry of Education\, Youth an
 d Sports of the Czech Republic)\n \n \n\nThis course was supported by th
 e Ministry of Education\, Youth and Sports of the Czech Republic through t
 he e-INFRA CZ (ID:90254).\n \nAll presentations and educational materials
  of this course are provided under the Creative Commons Attribution-ShareA
 like 4.0 International (CC BY-SA 4.0) license.\n\nhttps://events.it4i.cz/e
 vent/393/
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