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 14 2025 DIRAC-25 is released. New features include effective QED-potentials.

* March 13 2025 Dávid gave a seminar entitled Challenges in molecular QED: the self-energy for the THEO group of LCPQ.

* Feb 18 2025 Dávid gave an invited seminar entitled Challenges in molecular QED: the self-energy in the EMC2 working group on the Jussieu campus.

* Feb 17 2025 This week Trond, Ryan and Dávid are in Paris for an intense week of collaboration with Julien Toulouse and Timothée Audinet, also Maen Salman. The first day we also discussed with the mathematicians Mathieu Lewin and Eric Cances

* Feb 14 2025 Trond gave an invited seminar entitled Towards Highly Accurate Calculations of Molecular Properties (pdf) in the group of Jürgen Gauss at the Johannes Gutenberg-Universität Mainz.

* Jan 17 2025 New arXiv submission: Dávid Ferenc, Maen Salman, Trond Saue, Gaussian basis set approach to one-loop self-energy arXiv:2501.10027

* Jan 17 2025 New publication: Gabriele Fabbro, Johann Pototschnig and Trond Saue,Beyond the Dailey–Townes Model: Chemical Information from the Electric Field Gradient, The Journal of Physical Chemistry A, Article ASAP, DOI: 10.1021/acs.jpca.4c0688

* Jan 10 2025 Trond gave online an invited talk entitled Towards molecular QED (pdf) in the seminar series „Exact results in quantum theory” at the University of Warsaw

* Dec 12 2024 Ryan gave a THEO seminar entitled Vacuum polarization in a finite Gaussian basis.

* Nov 20 2024 Trond gave an invited talk entitled Light-matter interaction in a relativistic perspective (pdf) at the Theory around XFELS workshop in Marseille

* Nov 19 2024 Jan contributed a poster entitled Generating coupled cluster code for modern distributed memory tensor software at the The International Conference for High Performance Computing, Networking, Storage, and Analysis (SC24)

* Nov 7 2024 Jan gave a seminar entitled Systematic and sustainable CC development on current HPC platforms at the THEO group meeting.

* Oct 14 2024 New submission on arXiv: 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 11th Triennial Congress of the International Society for Theoretical Chemical Physics (ISTCP2024) in Qingdao.

* Oct 10 2024 The HAMP team has been very present at the 14th REHE conference, held October 7 - 11 2024 in Amersfoort, the Netherlands. Talks:

• Trond: Towards molecular QED
• Dávid: Evaluation of the self-energy correction in a finite-basis approximation
• Ryan: Vacuum polarization in a finite Gaussian basis
• Gabriele: Highly Accurate Molecular Properties using Relativistic Coupled Cluster Theory

* Sep 12 2024 Busy days for Trond and Dávid at the European summerschool in quantum chemistry (ESQC) in Sicily, yet time for QED discussions with Julien Toulouse.

* Sep 10 2024 New submission on arXiv: Generating coupled cluster code for modern distributed memory tensor software. Authors: Jan, Johann and Trond.

* July 27 2024 Gabriele gave a THEO seminar entitled Highly Accurate Molecular Properties using High-Order Relativistic Coupled Cluster Theory

* July 22-23 2024 Trond and Dávid spent two intense days at Max-Planck-Institut für Kernphysik in Heidelberg, discussing with Zoltán Harman and Vladimir Yerokhin and visiting experimental installations.

* July 23 2024 Trond gave an invited seminar entitled Towards Molecular QED (pdf) at the Max-Planck-Institut für Kernphysik.

* July 22 2024 Dávid gave an invited seminar entitled One-loop self-energy in a Gaussian basis at the Max-Planck-Institut für Kernphysik.

* June 19 - 21 2024: The QED team (Ryan, Dávid and Trond) had three days of intense exchange with Harry Quiney from the University of Melbourne. Harry also gave a lab seminar entitled Back to the future: ab initio molecular QED.

* June 17 2024: Jan gave a talk, entitled Generating coupled cluster code for modern distributed memory tensor software at the 8-th Japan-Czech-Slovakia International Symposium on Theoretical Chemistry

* May 27 2024: Gabriele gave a talk entitled Coupled Cluster Method for Molecular Properties at the 20th ETSF Young Researchers’ Meeting (YRM 2024).

* May 22 2022: The first day of our workshop wen very well !

* May 21 2024: Final preparations for our CECAM workshop on tensor contraction. From the left: Lucas Visscher (Amsterdam), André Severo Pereira Gomes (Lille), Jan Brandejs (Toulouse), Paolo Bientinesi and Trond Saue (Toulouse)

* May 2 2024: Johann has joined the Scientific Computing Core team of the Center for Advanced Systems Understanding (CASUS) in Görlitz, Germany, We wish him all the best !

* March 1 2024: Maen embarks on new adventures in a 2-year postdoc in the group of Jean-Philippe Karr at the Kastler–Brossel Laboratory in Paris. We wish him all the best !

* Feb 28 2024: Trond gave a talk entitled Towards Highly Accurate Calculations of Molecular Properties (pdf) at the 63rd Sanibel meeting in St Agustine, Florida.

* Jan 22 2024: Intense discussion with mathematician Sascha Lill, currently postdoc at the University of Milan.

* Jan 10 2024:Trond was a member of the committee at the PhD defense of Xiang Yuan at the Vrije Universitet in Amsterdam. He also gave a talk entitled Beyond the Dailey-Townes model: chemical information from the Electric Field Gradient (EFG) as part of a mini-symposium organized the same day. From the left: Daan Gerke (Amsterdam), Valérie Vallet (Lille), Andre Severo Pereira Gomes (Lille; advisor), Luuk Visscher (Amsterrdam; advisor), Xiang Yuan, Cees Gooijer {Amsterdam; rector magnificus), Trond, Sonia Coriani (DTU), Arno Förster (Amsterdam) Not present: Anastasia Borschevsky (Groningen)

* Jan 8 2024: Johann became king for a day when he got the figurine of the galette des rois at our weekly group meeting.

* Dec 19 2023: Gabriele gave a seminar entitled Beyond the Dailey-Townes model: chemical information from the electric field gradient in a relativistic framework at his home institution, the University of Trieste

* Dec 13 2023:Time to say goodbye to Martin van Horn. From the left: Trond, Ryan, Dávid, Gabriele, Jan, Martin, Johann

* Nov 27 2023: Jan and Johann gave a presentations at the LUMI hackathon: Optimizing for AMD GPUs

* Nov 27 2023: Trond gave an invited lecture entitled Beyond the Dailey-Townes model: chemical information from the electric field gradient (pdf)at the TRAINS conference at Sundvolden hotel outside Oslo (Norway), celebrating the 70 years anniversary of Trygve Helgaker

* Nov 24 2023: The HAMP team would like to congratulate Martin van Horn who successfully defended his PhD-thesis entitled Simulating X-ray Absorption Spectroscopy Beyond the Dipole Approximation: A Relativistic Formulation. In the photo: co-advisor Nanna List, advisor Trond Saue, Mai Dinh (LPT, Toulouse, president of jury), Martin van Horn, Sonia Coriani (Technical University of Denmark), Roland Lindh (University of Lund) and Christoph Jacob (University of Braunschweig). Patrick Norman was an invited member of the jury and assisted the defense by zoom.

* Nov 23 2023: Sonia Coriani from the Technical University of Denmark gave a LCPQ seminar entitled Correlated methods for local and ultrafast processes, also involving the electronic continuum - From X-ray absorption to resonant Auger-Meitner, followed by discussions with the HAMP team, joined by Pierre-François Loos.

* Nov 23 2023:Jan gave a talk about his CC toolchain at the THEO group meeting.

* Nov 9 2023: Ryan gave a talk about the Bogoliubov-Dirac-Fock model and its renormalization at the THEO group meeting.

* Oct 30 2023: Jan gave a talk entitled Generating coupled cluster code for modern distributed memory tensor software at the 7th Users' Conference of IT4Innovations at the Czech National Supercomputer Center in Ostrava.

* Oct 19 2023: Trond gave a talk entitled Beyond the Dailey-Townes model: chemical information from the Electric Field Gradient (EFG) (pdf) at the conference Quantum Systems in Chemistry and Physics, and Biology held 14-20 October 2023 in Jaipur (Rajasthan) India

* Oct 2 2023: New postdoc

* Sep 28 2023: Maen gave a seminar, entitled Relativistic and QED effects in atomic systems, at the THEO group meeting.

* August 8 - 10 2023: Jan visited the group of Andreas Grüneis at the TU WIen for discussions on tensor libraries. He gave a seminar entitled Generating coupled cluster code for modern distributed memory tensor software.

* July 2 - 7 2023: Ryan participated in the summerschool Search for new physics with low-energy precision tests in Ameland, The Netherlands.

* June 30 2023: Trond participated in the 17th International Congress of Quantum Chemistry (ICQC 2023), Bratislava, Slovakia, June 26 - July 1 2023. He gave a talk entitled Does chemistry need more physics ? (handout),

* June 26 - 30 2023: Maen participated in joint meeting of the "Proton Radius European Network" (PREN 2023) and the "Muonic Atom Spectroscopy Theory Initiative" (μASTI) taking place June 26-30, 2023 at the Johannes Gutenberg University Mainz. He contributed the poster Calculating the many-potential vacuum polarization density of the Dirac equation in the finite-basis approximation

* June 22 2023: A 2-year postdoc-position in theoretical physics/chemistry: Variational QED. More information is found here. Position filled.

*June 20 - 23 2023: Jan and Johann partipated in the ICQC Satellite Meeting Strong Correlation in Molecules in Znojmo, Czech Republic. Jan gave a talk entitled Generating coupled cluster code for modern distributed memory tensor software, and Johann a talk entitled Relativistic effects and orbital contributions to the electric field gradient.

* June 13 2023: Gabriele presented the poster Beyond the Dailey-Townes model: chemical information from the electric field gradient at the Molecular Response Properties Summer School 2023 in Stockholm, Sweden. Trond was one of the organizers, with Kenneth Ruud and Patrick Norman.

* June 5 - 8 2023: Trond participated in the conference Numerical Methods in Quantum Chemistry 2023. He gave an invited talk entitled Electron correlation in a relativistic perspective (handout)

* June 5 - 7 2023: Maen and Ryan participated in the 5th edition of mini-school on mathematics for theoretical chemistry and physics in Paris. This was also the occasion to discuss with Julien Toulouse, hi s PhD student Timothée Audinet De Pieuchon as well as Umberto Morellini, PhD-student of Eric Séré.

* May 31 2023: The official photo of the 26th DIRAC programmers meeting Front row: Martin van Horn (Toulouse), Erik Hedegård (Odense), Johann Pototschnig (Toulouse), Gabriele Fabbro (Toulouse), Xiang Yuan (Lille). Back row: Erik Kjellgren (Odense), Trond Saue (Toulouse), Ernst D. Larsson (Odense), Hans Jørgen Aa. Jensen (Odense), Luuk Visscher (Amsterdam), Gosia Olejniczak (Warsaw), Andre Gomes (Lille), Jan Brandejs (Toulouse). On zoom: Ayaki Sunaga (Kyoto), Miroslav Iliaš (Banskej Bystrici), Avijit Shee (Berkeley), Ansgar Pausch (Karlsruhe)

* May 30 2023: The 26th DIRAC programmers meeting has started. From HAMP-vQED: Trond, Jan, Johann and Gabriele.

* May 22-26 2023: Maen participated at the 2023 edition of the International Conference on Precision Physics and Fundamental Physical Constants (FFK 2023). He contributed a poster entitled Calculating the many-potential vacuum polarization density of the Dirac equation in the finite-basis approximation (zenodo).

* May 5 2023: Trond gave a popular science presentation in the philosophy assocation Aldéran in Toulouse, entitled “Einstein et la chimie” (slides)

* April 18 2023: New submission: Maen Salman and Trond Saue: Calculating the many-potential vacuum polarization density of the Dirac equation in the finite-basis approximation (arXiv)

* April 5 2023: Maen gave a presentation entitled Relativity and QED in atomic and molecular problems at the NanoX-FeRMI days April 5-6 2023.

* March 14 2023: Our paper 4-component relativistic Hamiltonian with effective QED potentials for molecular calculationshas been selected as a 2022 Editors’ Choice article

* March 16 2023: Ryan gave an invited seminar entitled A mean field model for quantum electrodynamics : the Bogoliubov-Dirac-Fock model at the Institut de Mathématiques de Bourgogne.

* March 9 2023: Ryan gave a seminar entitled A mean field model for Quantum Electrodynamics at the THEO group meeting today.

* Feb 19 2023: Trond gave an invited talk “Does chemistry need more physics ?” (handout) at the 28th Austin Symposium on Molecular Structure and Dynamics at Dallas February 17-20, 2023

* Jan 27 2023: The HAMP-vQED team was present a the January DIRAC hackathon

* Jan 23 2023: A 3-year PhD-position in theoretical physics/chemistry: Highly accurate relativistic calculations of molecular properties. More information is found here. You can apply here

* Jan 16 2023 Maen became king for a day when he got the figurine of the galette des rois at our weekly group meeting.

* Jan 10 2023 Maen and Ryan participated actively in the CIRM workshop, here in discussion with Eric Séré and Eric Cances.

* Jan 9 2023 This week Trond, Maen and Ryan participate in the workshop The analysis of relativistic quantum systems at the Centre International de Rencontres Mathématiques (CIRM) in Marseille. Trond gave the opening lecture “Quaternions and relativity” (full talk)

* Dec 5 2022 Group meeting with cake and diagrams !

* Nov 14 2022 Gabriele continues on the HAMP-vQED team as a PhD-student [14/11/2022 - 13/11/2025]

* Nov 14 2022 Our regular Monday group meeting ended with Czech rosebud tea prepared by Jan. From left: Jan, Martin, Johann, Ryan, Gabriele, Maen

* Nov 10 2022 Jan gave a seminar entitled Generating coupled cluster code for modern distributed memory tensor software at the THEO group meeting.

* Oct 24 - 26 2023 The HAMP-vQED was solidly present at the EMMI workshop Accurate relativistic treatment of multi-electron atoms and applications to Super-heavy elements. Johann lectured on Integral and tensor interfaces and their use on supercomputers.Trond gave a lecture entitled Effective QED-potentials for molecular calculations. Maen contributed the lecture Vacuum polarization effects within the finite basis framework.

* Oct 21 2022 Ryan continues on the HAMP-vQED team as a PhD-student [20/10/2022 - 21/10/2025]

* Oct 17 2022 Trond gives a seminar entitled Does chemistry need more physics ? at the Norwegian University of Science and Technology in Trondheim under the auspices of Henrik Koch.

* Oct 6 2022 Henrik Koch (Trondheim/Pisa), 2021 recipient of an ERC Advanced Grant for his project QuantumLight, spent two days in the lab, for extensive discussions and giving a seminar entitled “Electronic structure methods for molecules in strong coupling QED environments”

* Sep 29 2022Maen gave a contributed talk entitled Vacuum polarization in the finite basis Dirac problem at the 13th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics ( REHE-22 ) in Assisi, Italy.

* Sep 27 2022 Trond was an invited speaker at the 13th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics ( REHE-22 ) in Assisi, Italy. He gave a talk “Does chemistry need more physics ?” handout.

* Sep 21 2022 Featured Article: Our manuscript [Ayaki Sunaga, Maen Salman, Trond Saue, 4-component relativistic Hamiltonian with effective QED potentials for molecular calculations (DOI)] has been selected as Featured Article by the Journal of Chemical Physics

* Sep 19 2022 Online publication: Stefan Knecht, Michal Repisky, Hans Jørgen Aagaard Jensen, Trond Saue, Exact two-component Hamiltonians for relativistic quantum chemistry: Two-electron picture-change corrections made simple, J. Chem. Phys. 57, 114106 (2022) DOI

* July 27 2022 New manuscript submission: Ayaki Sunaga, Maen Salman, Trond Saue, 4-component relativistic Hamiltonian with effective QED potentials for molecular calculations arXiv

* July 18 2022 Ryan Benazzouk defended his Master2 internship project, entitled Méthodes variationnelles pour le calcul de la polarisation du vide quantique, at the University of Toulouse III

* June 19 – 24 2022 Trond was an invited speaker at the 25th International Workshop on Quantum Systems in Chemistry, Physics and Biology (QSCP 2022) in Toruń, Poland.He gave a talk entitled Does chemistry need more physics ? (handout)

* June 1 2022 The 25th DIRAC meeting was held in Odense, Denmark, May 30 - June 2 2022

Standing, from left: Xiang Yuan (Lille), Mauricio Rodríguez-Mayorga (Amsterdam), Martin van Horn (Toulouse), Joel Creutzberg (Lund), André Gomes (Lille), Jan Brandejs (Toulouse), Johann Pototschnig (Toulouse), Hans Jørgen Aa. Jensen (Odense), Maen Salman (Toulouse). In front: Luuk Visscher (Amsterdam), Radovan (universe), Trond Saue (Toulouse).

* April 11 2022 New manuscript submission: Stefan Knecht, Michal Repisky, Hans Jørgen Aagaard Jensen, Trond Saue, Exact two-component Hamiltonians for relativistic quantum chemistry: Two-electron picture-change corrections made simple arXiv

* April 1 2022 New postdoc

* March 28 2022: New Master student

* March 4 2022: New Master student

* Feb 14 2022: New postdoc

* Feb 1 2022: New postdoc

* Jan 7 2022: A 3-year PhD-position in theoretical chemistry/physics: Relativistic coupled-cluster response theory for closed-shell molecules. More information is found here

* Dec 11 2021: Trond Saue gave a talk “Does chemistry need more physics ?” (handout) as plenary lecturer at the 17th Theoretical Chemistry Symposium (TCS 2021) held online under the joint auspices of IISER Kolkata, IACS Kolkata, University of Kalyani and S.N Bose National Centre For Basic Sciences Kolkata.

* Nov 10 2021: Trond Saue gave a talk “Does chemistry need more physics ?” (handout) at a Mini-symposium on relativistic electronic structure, held in the PhLAM (Physique des Lasers, Atomes et Molécules) laboratory at the university of Lille, France.

* Oct 21 2021: A 2-year Postdoctoral Research Fellow in Theoretical Chemistry/Computational Science is available: Relativistic two-electron interaction. Position filled.

* Oct 1 2021: The HAMP-vQED project, funded by an ERC Avanced Grant, has officially started !