QIF 2023


Poster Sequences

Yonas Tirffe

Aksum University


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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