Posters
Poster voting system
Do not forget to vote for the posters you like the most!
- Join us on our Slack WorkSpace to cast your vote. Once on Slack reach the #poster-vote channel for further information.
- Alternatively, you may cast your vote directly here.
The authors of the most voted posters will have the chance to give "Flash Presentations" (7 min) during the poster session.
Either you click on author names to open and read their posters (PDF will open) or you can download an overview of all posters (in one PDF) here.
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Xiaojing Bai
University of Minnesota
Theoretical investigation of single-molecule magnet behaviour in mononuclear dysprosium and
californium complexes
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Javier Carmona-García
Universitat de València
On the determination of sunlight absorption cross sections and photolysis yields of atmospheric Hg
contaminants by multiconfigurational quantum chemistry
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Sijia S. Dong
Argonne National Laboratory
Nature of the excited states of butadiene and the Goldilocks effect of basis set diffuseness
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Carlo A. Gaggioli
University of Minnesota
Theoretical investigation of actinides based single molecule magnets
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Xuejun Gong
National University of Singapore
Ab initio term-specific crystal field for complexes with weak covalence
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Ruocheng Han
University of Zurich
Multiconfigurational analysis of a water oxidation pathway
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Vamshi M. Katukuri
Max Planck Institute for Solid State Research
Electron correlations and magnetic interactions in Ni1+ unconventional superconductor
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Patrick Kimber
Loughborough University
Failure of the molecular orbital picture to predict delayed fluorescence
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Vladislav Kochetov
University of Rostock
RHODYN: Program for density matrix propagation
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Ernst D. Larsson
Lund University
Benchmarking ANO-R
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Yingjin Ma
Center of Scietific Computing Application & Research, CAS
Portable parallelization using the Charm++ framework for re-constructing CI w.f. and the ROCm Platform
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Miriam Navarrete-Miguel
Universitat de Válencia
Photodynamic therapy with 4-thiouracil: A CASSCF/CASPT2 quantum-chemistry study on its
triplet population mechanism
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Meagan S. Oakley
University of Minnesota
Computing magnetic properties of benzoquinonoid dinuclear uranium complexes
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Debmalya Ray
University of Minnesota
Experimental and quantum mechanical characterization of an oxygen‐bridged plutonium(IV) dimer
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Thomas Schraivogel
Max Planck Institute for Solid State Research
Distinguishable cluster calculations
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Thais Scott
University of Minnesota
Geometry optimizations and excited state energetics using Multi-Configuration Pair-Density Functional Theory
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Prachi Sharma
University of Minnesota
Magnetic coupling in tris-hydroxo-bridged chromium dimer:
A multiconfiguration Pair-Density Functional Theory Study with CAS, RAS and DMRG active spaces
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Eugenio Vitale
Max Planck Institute for Solid State Research
The FCIQMC tailored distinguishable cluster approach
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Maria V. White
University of Tennessee
A multiconfigurational study of redox states of N2 coordination modes to molybdenum atoms
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