QIF 2023
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3rd QUANTUM INTERNATIONAL FRONTIERS 2023
List of Posters
Poster Sequences
Yonas Tirffe
Aksum University
STRUCTURAL EVOLUTION AND STABILITY OF (PbTe)n/(PbTe)-n AND Pbn-mSnmTen(n = 1 − 20, 2m ≤ n) CLUSTERS
Sequence number: 1
Aditi Singh
Nicolaus Copernicus University in Torun
Analyzing the limit for second order correlation energy expression in context of Kohn Sham Density functional theory
Sequence number: 2
Seyedehdelaram Jahani
Nicolaus Copernicus University in Torun
Theoretical study into the electronic structure and properties of polyanilines from modern quantum chemistry.
Sequence number: 3
Gabriel Chirchir
Nicolaus Copernicus University in Torun
Structural, Electronic and Mechanical Properties of Re Doped FeMnP0.67A0.33 (A=Ga and Ge): A DFT Study
Sequence number: 4
Vignesh Kumar
Nicolaus Copernicus University in Torun
Physically meaningful solutions of the optimized effective potential equations.
Sequence number: 5
Dominik Cieslinski
University of Warsaw
First-order symmetry-adapted perturbation theory for electronically degenerate states
Sequence number: 6
Krishnan Sangameswaran
ICRI-BioM, Lodz University of Technology
Designing principles to fine-tune optoelectronic properties of stars-haped molecules – A Theoretical study
Sequence number: 7
José Aarón Rodríguez Jiménez
Donostia International Physics Center
A combined WFT-DFT method based on the splitting of the orbital space.
Sequence number: 8
Michał Andrzej Kochman
Polish Academy of Sciences
Simulating the photophysics of DMABN: what have we learned, and where do we go from here?
Sequence number: 9
Víctor S. A. Bonfim
University of Kent
HeH+ rovibrational spectroscopy: A comparative study between two QMC strategies
Sequence number: 10
Víctor S. A. Bonfim
University of Kent
Assessing the role of migration during the irradiation of CF3CH2F with chemical accuracy
Sequence number: 11
Daria Drwal
Lodz University of Technology
The role of spin polarization and dynamic correlation in singlet-triplet gap inversion of heptazine derivatives
Sequence number: 12
Agnieszka Krzemińska
Lodz University of Technology
Visualisation of dispersion interactions: strong-correlation and excited states
Sequence number: 13
Martin Uttednorfer
Ludwig-Maximilian-Universität München
Functional theory for quantum phase transitions
Sequence number: 14
Antonina Zatylna
ICRI-BioM, Lodz University of Technology
Theoretical studies of vibrational spectra of various graphene oxide surfaces
Sequence number: 15
Mateusz Pokora
ICRI-BioM, Lodz University of Technology
DFT investigation of ε-thionocaprolactone copolymerization
Sequence number: 16
Michał Hapka
University of Warsaw
Multiconfigurational symmetry-adapted perturbation theory combined with reduced density matrix functional theory
Sequence number: 17
Andrew Burgess
The University of Dublin
A DFT+U-type functional to correct both self interaction error and static correlation error
Sequence number: 18
Mohammad Reza Jangrouei
Lodz University of Technology
Dispersion correction for small high-spin open-shell dimers using reparameterized VV10 nonlocal correlation density functional (reVV10)
Sequence number: 19
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Yonas Tirffe
Aditi Singh
Seyedehdelaram Jahani
Gabriel Chirchir
Vignesh Kumar
Dominik Cieslinski
Krishnan Sangameswaran
José Aarón Rodríguez Jiménez
Michał Andrzej Kochman
Víctor S. A. Bonfim
Jing Ma
Daria Drwal
Agnieszka Krzemińska
Martin Uttednorfer
Antonina Zatylna
Mateusz Pokora
Michał Hapka
Andrew Burgess
Mohammad Reza Jangrouei
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