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start [2025/07/18 11:38] – tsauestart [2025/08/20 18:33] (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]// 
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 +* //Aug 20 2025// Trond gave a plenary lecture entitled //Towards Highly Accurate Calculations of Molecular Properties// at the ACS Fall 2025 Global Virtual Symposium [[https://www.acs.org/events/fall/presenters/global-virtual-symposia/theoretical-methods-algorithms-applications.html|Development of Theoretical Methods, Algorithms and Applications to Relevant Chemical Problems]]
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 +*//July 22 2025// New publication: Trond Saue, //Does chemistry need more physics?//, Pure and Applied Chemistry, 2025 [[https://doi.org/10.1515/pac-2025-0497|DOI:10.1515/pac-2025-0497]]
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 +*//July 18 2025// New publication: Jan Brandejs, Johann Pototschnig and Trond Saue, //Generating Coupled Cluster Code for Modern Distributed-Memory Tensor Software//, The Journal of Chemical Theory and Computation (2025) Article ASAP [[https://doi.org/10.1021/acs.jctc.5c00219|DOI:10.1021/acs.jctc.5c00219]]
 +{{ ::tenpi_toc.png?direct&600 |}}
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 +*//July 17 2025//Zewen Sun, PhD-student in the group of [[https://www.mpi-hd.mpg.de/mpi/de/forschung/abteilungen-und-gruppen/theoretische-quantendynamik-und-quantenelektrodynamik/exotic-quantum-systems|Natalia S. Oreshkina ]] at the Max Planck Institute for Nuclear Physics in Heidelberg, visited us for discussions.
 +{{ ::sewen_july2025.jpg?direct&400 |}}
  
 *//July 11 2025// New publication: Gabriele Fabbro, Jan Brandejs and Trond Saue, //Highly Accurate Expectation Values Using High-Order Relativistic Coupled Cluster Theory//, The Journal of Physical Chemistry A (2025) Article ASAP [[https://doi.org/10.1021/acs.jpca.5c02844|DOI: 10.1021/acs.jpca.5c02844]] *//July 11 2025// New publication: Gabriele Fabbro, Jan Brandejs and Trond Saue, //Highly Accurate Expectation Values Using High-Order Relativistic Coupled Cluster Theory//, The Journal of Physical Chemistry A (2025) Article ASAP [[https://doi.org/10.1021/acs.jpca.5c02844|DOI: 10.1021/acs.jpca.5c02844]]
 +{{ ::fabbro_toc2025.png?direct&400 |}} 
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 +*//June 30 2025// Jan gave a talk entitled //The story of TAPP -- the "BLAS for tensors" and its use in DIRAC// at the conference [[https://www.helsinki.fi/en/conferences/reusable-libraries-quantum-chemistry-2025|Reusable Libraries in Quantum Chemistry]] (WATOC satellite) at the Congress Center Majvik, Finland. Jan also won a prize for best poster !
 +{{ ::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// 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 |}}
  
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 +* //June 11 2025// New arXiv submission: Per Sehlstedt, Jan Brandejs, Paolo Bientinesi and Lars Karlsson, //The Software Landscape for the Density Matrix Renormalization Group//, [[https://arxiv.org/abs/2506.12629|arXiv:2506.12629]] The paper was highlighted on [[http://quattro.phys.sci.kobe-u.ac.jp/dmrg/condmat.html|Tomotoshi Nishino's DMRG homepage]].
  
 * //June 11 2025// Gabriele gave a talk entitled //Highly Accurate Expectation Values using * //June 11 2025// Gabriele gave a talk entitled //Highly Accurate Expectation Values using
 High-Order Relativistic Coupled Cluster Theory// at the  [[https://www.ntnu.edu/|Norwegian University of Science and Technology]] (NTNU). High-Order Relativistic Coupled Cluster Theory// at the  [[https://www.ntnu.edu/|Norwegian University of Science and Technology]] (NTNU).
 {{ ::gabriele_trondheim2025.jpg?direct&600 |}} {{ ::gabriele_trondheim2025.jpg?direct&600 |}}
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 +* //June 5 2025// Jan gave a talk entitled //The case of TAPP and its use in DIRAC// at the 28th DIRAC Working Group Meeting 2025, SDU, Odense, DK
 +{{ ::jan_dirac2025.jpeg?direct&600 |}}
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 +* //June 4 2025// Dávid gave a talk entitled //Towards rigorous QED corrections in diatomic molecules// at the 28th DIRAC Working Group Meeting 2025, SDU, Odense, DK
 +{{ ::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// 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.
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 * //April 25 2025// New arXiv submission: Gabriele Fabbro, Jan Brandejs, Trond Saue, //Highly Accurate Expectation Values Using High-Order Relativistic Coupled Cluster Theory// [[https://arxiv.org/abs/2504.18516|arXiv:2504.18516]] * //April 25 2025// New arXiv submission: Gabriele Fabbro, Jan Brandejs, Trond Saue, //Highly Accurate Expectation Values Using High-Order Relativistic Coupled Cluster Theory// [[https://arxiv.org/abs/2504.18516|arXiv:2504.18516]]
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 +* //April 04 2025// Gabriele gave a talk entitled //Highly Accurate Expectation Values using High-Order Relativistic Coupled Cluster Theory// at the THEO group meeting.
 +{{ ::gabriele_theo-04-2025.jpg?direct&600 |}}
  
 * //March 14 2025// **DIRAC-25 is released**. New [[https://www.diracprogram.org/doku.php?id=features|features]] include effective QED-potentials. * //March 14 2025// **DIRAC-25 is released**. New [[https://www.diracprogram.org/doku.php?id=features|features]] include effective QED-potentials.
start.1752831539.txt.gz · Last modified: 2025/07/18 11:38 by tsaue