@luukvis

Quantum Chemist

 Amsterdam
Joined August 2009
  • Tweets74
  • Following35
  • Followers514
7Media
Luuk Visscher retweeted
DIRACprogram@DIRACprogramFeb 25
The DIRAC26 source code is available from ZENODO at zenodo.org/records/18662050 !

DIRAC26

Project website: https://diracprogram.org The DIRAC program computes molecular properties using relativistic quantum chemical methods. It is named after P.A.M. Dirac, the father of relativistic...

zenodo.org
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DIRAC26 is out, Check out diracprogram.org/doku.php?id… for a list of new features, enhancements, optimizations and bug fixes of DIRAC26 compared to DIRAC25.
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Catching up on the science behind the quantum advantage announcement by Google. Nice to have heard the story behind arxiv.org/abs/2510.19550 first hand from Tom O'Brien.

Quantum computation of molecular geometry via many-body nuclear spin echoes

Quantum-information-inspired experiments in nuclear magnetic resonance spectroscopy may yield a pathway towards determining molecular structure and properties that are otherwise challenging to...

arxiv.org
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Marie Curie PhD position available at SCM: scm.com/news/job-opening-mar…

Job opening: Marie Curie PhD fellowship – Vibrational chiral response on chiral surfaces - SCM

scm.com
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This plan is absurd, but brutality sadly rules in much of the world. Hope this petition may help: oppose the layoff of the NIST Atomic Spectroscopy Group - Sign the Petition! chng.it/BCy5DKJmJT via @Change

Sign the Petition

Oppose the layoff of the NIST Atomic Spectroscopy Group

change.org
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DIRAC25 is released today. Check out diracprogram.org/doc/release… for the new features and download information.
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Hiroshima, Japan was just selected to be the location of REHE2026.
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The second REHE to take place in NL is about to start, looking forward to meet old friends and make new ones in Amersfoort: rehe2024.nl/

REHE 2024

14th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics

rehe2024.nl
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[2410.03620] Time-Reversal Symmetry in RDMFT and pCCD with Complex-Valued Orbitals #compchem arxiv.org/abs/2410.03620

Time-Reversal Symmetry in RDMFT and pCCD with Complex-Valued Orbitals

Reduced density matrix functional theory (RDMFT) and coupled cluster theory restricted to paired double excitations (pCCD) are emerging as efficient methodologies for accounting for the so-called...

arxiv.org
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Looking back at productive tensor.sciencesconf.org/. Thanks to all the participants to make this a success, hope we can keep the momentum.
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Luuk Visscher retweeted
DIRACprogram@DIRACprogram21 Feb 2024
A full list of features, enhancements, optimizations, and bug fixes of DIRAC24 compared to DIRAC23 is found here: diracprogram.org/doku.php?id… #compchem #theochem #HPC #openscience
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The 2024 version of DIRAC is now officially released. Hop over to diracprogram.org/ to download your copy.
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And the day before defending his thesis also the linear response appears: pubs.acs.org/doi/full/10.102…

Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic...

Abstract. We present the development and implementation of relativistic coupled cluster linear response theory (CC-LR), which allows the determination of m

pubs.acs.org
Ecole Graduée SMRE@ED_SMRE8 Jan 2024
🎓Xiang YUAN 📆10 jan. 2024 🕰️11h45 🗺️Hoofdgebouw VU, De Boelelaan 1105, Amsterdam - Auditorium 🪧Propriétés moléculaires dans le régime de réponse linéaire et au-delà avec méthodes 'equation of motion coupled cluster' relativistes
https://adum.fr/script/detailSout.pl?mat=118101&site=smreLille&

ALT https://adum.fr/script/detailSout.pl?mat=118101&site=smreLille&

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Quadratic response can be faster than linear response, at least when it concerns published papers, Xiang Yuan's nice work on QR is now online: pubs.acs.org/doi/10.1021/acs…, while we still need to refer you to the arxiv for equally nice work on linear response.

Frequency-Dependent Quadratic Response Properties and Two-Photon Absorption from Relativistic...

Abstract. We present the implementation of quadratic response theory based upon the relativistic equation-of-motion coupled cluster method. We showcase our

pubs.acs.org
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The 14th REHE conference (NL, October 7 to October 11, 2024) is taking shape, stay tuned at rehe2024.nl/ for the latest news.

REHE 2024

14th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics

rehe2024.nl
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Well deserved honor for Arno Förster: hrsmc.nl/shared-content/news…

Dick Stufkens Prize 2023 for theoretical chemist Arno Förster - Holland Research School of Molecu...

The Dick Stufkens Prize 2023 for best PhD thesis of the Holland Research School of Molecular Chemistry (HRSMC) has been awarded to Dr Arno Förster for his thesis 'Many-body perturbation theory with...

hrsmc.nl
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Luuk Visscher retweeted
SCM@SCM_Amsterdam26 Jul 2023
SCM is proud to announce that it is one of the winners of the “Quantum SME” call! 🙌 Click here for more info on the project, which is sponsored by @QuantumDeltaNL: scm.com/news/embedding-quant…

Hybrid Quantum Chemistry – Embedding quantum simulations in classical computers - SCM

scm.com
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Intensive discussions at the annual @DIRACprogram meeting, especially on parallel GPU-adapted tensor operation libraries for #coupled_cluster work. Looking to team up with other groups to define #standards for #tensor_operations. BLAS4 ? @aspgpp @janbrandejs
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Luuk Visscher retweeted
DIRACprogram@DIRACprogram27 Feb 2023
Please note that HDF5 checkpoint file is now default for data handling. For more information, see User manual: Data storage in DIRAC diracprogram.org/doc/release… Developer manual: The CHECKPOINT.h5 file diracprogram.org/doc/release… #compchem #opensource #RealTimeChem #HPC
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Luuk Visscher retweeted
DIRACprogram@DIRACprogram27 Feb 2023
The @DIRACprogram DIRAC23 release is here !! #compchem #opensource #RealTimeChem #HPC
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