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start [2025/10/10 08:43] tsauestart [2026/03/20 17:56] (current) tsaue
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 // //
 This project (HAMP-vQED) has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (grant agreement No 101019907) [01/10/2021-30/09/2026]//  This project (HAMP-vQED) has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (grant agreement No 101019907) [01/10/2021-30/09/2026]// 
 +
 +//* March 17 2026:// New publication: Ryan Benazzouk,Maen Salman and Trond Saue, //Wichmann-Kroll vacuum polarization density in a finite Gaussian basis set//, Phys. Rev. A **113** (2026)  032813 DOI:[[https://doi.org/10.1103/wbz7-czxx|10.1103/wbz7-czxx]]
 +
 +//* March 2 2026:// Gabriele starts a 3-year postdoc at the Norwegian University of Science and Technology in Trondheim, under the supervision of [[https://www.ntnu.edu/employees/ida-marie.hoyvik|Ida-Marie Høyvik]] and in the context of the [[https://cordis.europa.eu/project/id/101170817|OpenQuantum]] project. Good luck, Gabriele !
 +{{ ::fabbro_ntnu2.jpeg?direct&400 |}}
 +
 +//* Feb 19 2026:// Dávid gave a seminar in the THEO-group entitled //Towards all-order self-energy computation for hydrogen molecular ions//.
 +{{ ::david_theo2026.jpeg?direct&600 |}}
 +
 +//* Feb 10 2026:// Trond gave a presentation on relativistic effects in chemistry for a prospective session of the chemistry section of the French Academy of Science.
 +{{ ::acadsci2026a.jpeg?direct&600 |}}
 +{{ :acadsci2026b.jpeg?direct&600 |}}
 +
 +//* Feb 9 2026:// Ryan gave a seminar entitle //Vacuum polarization in a finite basis// at the Laboratoire de Chimie Théorique of Sorbonne université in Paris. This marked the beginning of a week of work with [[https://www.lct.jussieu.fr/pagesperso/toulouse/|Julien Toulouse]].
 +{{ ::ryan_jussieu2026.jpg?direct&600 |}}
 +
 +//* Feb 5 2026:// New arXiv submission: Jan Brandejs, Trond Saue, Andre Severo Pereira Gomes, Lucas Visscher and Paolo Bientinesi: //Report on the second Toulouse Tensor Workshop// [[https://arxiv.org/abs/2602.05490|arXiv:2602.05490]]
 +
 +//* Jan 31 2026:// New arXiv submission: Gabriele Fabbro, Jan Brandejs and Trond Saue: //The nuclear electric quadrupole moment of 87Sr from highly accurate molecular relativistic calculations//, [[https://arxiv.org/abs/2602.00855|arXiv:2602.00855]]
 +
 +//* Jan 14 2026:// The TAPP whitepaper gets attention
 +{{ ::hammond_on_tapp.png?direct&600 |}}
 +
 +//* Jan 12 2026:// New arXiv submission: Jan Brandejs, Niklas Hörnblad, Edward F. Valeev, Alexander Heinecke, Jeff Hammond, Devin Matthews and Paolo Bientinesi, //Tensor Algebra Processing Primitives (TAPP): Towards a Standard for Tensor Operations//, [[https://arxiv.org/abs/2601.07827|arXiv:2601.07827]]
 +
 +//* Jan 5 2026:// **New postdoc**
 +
 +<WRAP box>
 +** Yuly Andrea Chamorro Mena ** \\
 +Postdoc 05/01/2026 - 04/01/2028\\
 +ORCID: [[https://orcid.org/0000-0002-4664-2434|0000-0002-4664-2434]]
 +<WRAP column 200px>
 +{{ ::photo-ychamorro.png?direct&600 |}}
 +</WRAP>
 +<WRAP column 400px>
 +
 +Yuly Chamorro, born 1990 in Pupiales, Colombia, obtained her PhD (entitled //Theory for symmetry violation experiments in molecules//) in physics at the University of Groningen, The Netherlands in 2024, under the supervision of [[https://www.rug.nl/staff/a.borschevsky/?lang=en|Anastasia Borschevsky]], [[https://www.rug.nl/staff/r.g.e.timmermans/?lang=en|R.G.E. Timmermans]] and [[https://english.tau.ac.il/profile/ephraim|E. Eliav]]. Her main task in the HAMP-vQED project will be to work on CC calculations of magnetic properties.
 +</WRAP></WRAP>
 +
 +
 +//* Dec 18 2025:// New arXiv submission: Ryan Benazzouk, Maen Salman, Trond Saue, //Wichmann-Kroll vacuum polarization density in a finite Gaussian basis set// [[https://arxiv.org/abs/2512.16569|arXiv:2512.16569]]
 + 
 +//* Dec 5 2025:// Gabriele successfully defended his PhD today. **Congratulations !**  Below he is surrounded by the committee: Trond, [[https://www.uni-saarland.de/en/faculty/nt/chairs-groups/chairs/chemistry/prof-dr-stella-stopkowicz.html|Stella Stopkowicz]] (Saarland), [[https://pro.univ-lille.fr/andre-severo-pereira-gomes|André Severo Pereira Gomes]] (Lille), Gabriele, [[https://lpt.univ-tlse3.fr/fiche-annuaire/romaniello-pina/|Pina Romaniello]] (president; Toulouse) and [[https://www.uni-marburg.de/en/fb15/researchgroups/theoretical_chemistry/ag-berger/personal-pages/prof-dr-robert-berger|Robert Berger]] (Marburg)
 +{{ ::dispgabriele.jpg?direct&600 |}}
 +
 +  *//Dec 1 2025:// Nice visit from our former group member Maen
 +{{ ::visitmaen_dec2025.jpg?direct&600 |}}
 +
 +//* Nov 21 2025:// Trond gave TWO seminars in the Faculty of Physics, University of Physics, Warsaw. The first seminar (12h15) was entitled //Light-matter interaction in a relativistic perspective// ([[https://doi.org/10.5281/zenodo.19136006|pdf]]) . Host: Dominika Zgid. 
 +{{ ::saue_warsaw_1.jpg?direct&600 |}}
 +The second seminar (14h15) was entitled //Vacuum polarization in a finite basis// ([[https://doi.org/10.5281/zenodo.19136094|pdf]]). Host: Krzysztof Pachucki
 +{{ ::saue_warsaw_2.jpg?direct&600 |}}
 +
 +//* Nov 14 2025:// Trond gave a lecture entitled //Light-matter interaction in a relativistic perspective//  
 +([[https://doi.org/10.5281/zenodo.19135895|pdf]]) at The Department of Physical and Theoretical Chemistry, Comenius University in Bratislava. Host: [[https://www.respectprogram.org/michalrepisky.html|Michal Repisky]]
 +{{ ::saue_bratislava2025.jpg?direct&600 |}}
 +
 +//* Nov 13 2025:// Trond gave a lecture entitled //Nuclear size effects in rovibrational spectra: A tale with a twist// ([[https://doi.org/10.5281/zenodo.19135713|pdf]]) for the Department of Chemistry at the [[https://en.wikipedia.org/wiki/E%C3%B6tv%C3%B6s_Lor%C3%A1nd_University|Eötvös Loránd University ]] in Budapest.
 +{{ ::trond_budapest2025.jpeg?direct&600 |}}
 +
 +//* Nov 12 2025:// Trond is on an East European tour and gave a seminar entitled //Vacuum polarization in a finite basis// ([[https://doi.org/10.5281/zenodo.19135784|pdf]])  in the [[https://www.compchem.hu/|group of Edit Matyus]] in Budapest.
 +{{ ::trond_matyus2025.jpg?direct&600 |}}
 +
 +//* Oct 16 2025:// Ryan gave a lecture entitled //Vacuum polarization in a Gaussian finite basis// at the THEO group meeting.
 +{{ ::ryan_theo2025.jpg?direct&600 |}}
  
 //* Oct 7 - 8 2025:// Jan was invited to the NVIDIA Atomistic Simulation Summit 2025 in Santa Clara, California and contributed a poster entitled //Multi-node multi-GPU tensor contractions in higher-order coupled cluster//. //* Oct 7 - 8 2025:// Jan was invited to the NVIDIA Atomistic Simulation Summit 2025 in Santa Clara, California and contributed a poster entitled //Multi-node multi-GPU tensor contractions in higher-order coupled cluster//.
-{{ ::jan_nvidia1.jpeg?direct&600 |}}{{ ::jan_nvidia2.jpeg?direct&600 |}} 
  
 //* Sep 29 - Oct 3 2025:// Trond has been co-organizing, with [[https://www.kth.se/profile/panor|Patrick Norman]] and [[https://en.uit.no/ansatte/person?p_document_id=41020|Kenneth Ruud]], the [[https://bit.ly/mrpss-2025|Molecular Response Properties Summer School (MRPSS 2025)]] at [[https://nordita.org/|Nordita]] in Stockholm. //* Sep 29 - Oct 3 2025:// Trond has been co-organizing, with [[https://www.kth.se/profile/panor|Patrick Norman]] and [[https://en.uit.no/ansatte/person?p_document_id=41020|Kenneth Ruud]], the [[https://bit.ly/mrpss-2025|Molecular Response Properties Summer School (MRPSS 2025)]] at [[https://nordita.org/|Nordita]] in Stockholm.
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 {{ ::jan_poster_finland2025.png?direct&400 |}} {{ ::jan_poster_finland2025.png?direct&400 |}}
  
-* //June 23 2025// Trond gave a talk entitled //Towards Highly Accurate Calculations of Molecular Properties// at the [[https://watoc2025.no/|13th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC)]] in Oslo.+* //June 23 2025// Trond gave a talk entitled //Towards Highly Accurate Calculations of Molecular Properties// ([[https://doi.org/10.5281/zenodo.19135662|pdf]]) at the [[https://watoc2025.no/|13th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC)]] in Oslo.
 {{ ::trond_watoc2025.jpg?direct&600 |}} {{ ::trond_watoc2025.jpg?direct&600 |}}
  
-* //June 19 2925// Trond gave a talk entitled //Molecular QED// at the conference [[https://mrchemsoft.no/nmqc-2025/|Numerical Methods in Quantum Chemistry 2025]], in Berlin.+* //June 19 2025// Trond gave a talk entitled //Molecular QED// ([[https://doi.org/10.5281/zenodo.19135555|pdf]]) at the conference [[https://mrchemsoft.no/nmqc-2025/|Numerical Methods in Quantum Chemistry 2025]], in Berlin.
 {{ ::trond_nmqc2025.jpg?direct&600 |}} {{ ::trond_nmqc2025.jpg?direct&600 |}}
  
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 {{ ::david_dirac2025.jpg?direct&600 |}} {{ ::david_dirac2025.jpg?direct&600 |}}
  
-* //May 26 2025// Trond gave a talk entitled //QED for molecules// at the [[http://www.mqm2025.net/index.html|11th Molecular Quantum Mechanics Conference (MQM2025)]] in Kyoto. Below he is seen with Masahiro Ehara, Hiromi Nakai, Kizashi Yamaguchi, Hiroshi Nakatsuji, Kimihiko Hirao and Andreas Savin. Professors Nakatsuji and Hirao were honorees of the conference.+* //May 26 2025// Trond gave a talk entitled //QED for molecules// ([[https://doi.org/10.5281/zenodo.19135401|pdf]]) at the [[http://www.mqm2025.net/index.html|11th Molecular Quantum Mechanics Conference (MQM2025)]] in Kyoto. Below he is seen with Masahiro Ehara, Hiromi Nakai, Kizashi Yamaguchi, Hiroshi Nakatsuji, Kimihiko Hirao and Andreas Savin. Professors Nakatsuji and Hirao were honorees of the conference.
 {{ ::pxl_20250527_024629442_先生方集合写真4.jpg?direct&600 |}} {{ ::pxl_20250527_024629442_先生方集合写真4.jpg?direct&600 |}}
  
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 * //Oct 14 2024// New submission on arXiv: [[https://arxiv.org/abs/2410.08386|Beyond the Dailey-Townes model: chemical information from the electric field gradient]]. Authors: Gabriele, Johann and Trond * //Oct 14 2024// New submission on arXiv: [[https://arxiv.org/abs/2410.08386|Beyond the Dailey-Townes model: chemical information from the electric field gradient]]. Authors: Gabriele, Johann and Trond
  
-* //Oct 14 2024// Trond gave a talk entitled //Beyond the Dailey-Townes model: chemical information from the electric field gradient// at the [[https://www.istcp2024.com/web/index.html|11th Triennial Congress of the International Society for Theoretical Chemical Physics]] (ISTCP2024) in Qingdao.+* //Oct 14 2024// Trond gave a talk entitled //Beyond the Dailey-Townes model: chemical information from the electric field gradient// ([[https://doi.org/10.5281/zenodo.19133260|pdf]]) at the [[https://www.istcp2024.com/web/index.html|11th Triennial Congress of the International Society for Theoretical Chemical Physics]] (ISTCP2024) in Qingdao.
 {{ ::trond_istcp2024.jpg?direct&600 |}} {{ ::trond_istcp2024.jpg?direct&600 |}}
  
 * //Oct 10 2024// The HAMP team has been very present at the [[https://www.rehe2024.nl/|14th REHE conference]], held October 7 - 11 2024 in Amersfoort, the Netherlands. Talks: * //Oct 10 2024// The HAMP team has been very present at the [[https://www.rehe2024.nl/|14th REHE conference]], held October 7 - 11 2024 in Amersfoort, the Netherlands. Talks:
-  * Trond: //Towards molecular QED//+  * Trond: //Towards molecular QED  ([[https://doi.org/10.5281/zenodo.19135217|pdf]])//
   * Dávid: //Evaluation of the self-energy correction in a finite-basis approximation//   * Dávid: //Evaluation of the self-energy correction in a finite-basis approximation//
   * Ryan: //Vacuum polarization in a finite Gaussian basis//   * Ryan: //Vacuum polarization in a finite Gaussian basis//
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 {{ ::tensorc.jpg?direct&600 |}} {{ ::tensorc.jpg?direct&600 |}}
  
-* //May 2 2024:// Johann has joined the [[https://www.casus.science/research-areas/scientific-computing-core/|Scientific Computing Core team]] of the [[https://www.casus.science/casus/|Center for Advanced Systems Understanding]] (CASUS) in Görlitz, Germany, We wish him all the best !+* //May 2 2024:// Johann has joined the [[https://www.casus.science/?page_id=4196|Scientific Computing Core team]] of the [[https://www.casus.science/|Center for Advanced Systems Understanding]] (CASUS) in Görlitz, Germany, We wish him all the best !
 {{ ::johann_goerlitz.jpeg?direct&600 |}} {{ ::johann_goerlitz.jpeg?direct&600 |}}
    
start.1760078586.txt.gz · Last modified: 2025/10/10 08:43 by tsaue