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