Poster Session

The poster session (Wednesday afternoon, June 14) is organized as follows: 

  • Three minutes (2 slides) flash talks will be given by each of the Posters' Presenters;

  • Posters presented in presence will be placed in proximity of the conference room (Aula "Toso Montanari", Ue 4  building, Navile);

  • Posters presented online will be assigned a separate room in the workshop Zoom event. The list of posters (author, title, and room name for those presented online) is given hereafter.

 

 

 

  • K. Kotsis: “An exploration of spin states in nanoparticle structures” (Enter in the Zoom Room named: POSTER KOTSIS);

  • F. Calcagno: “Predicting the exchange coupling constant in a diiron complex” (Enter in the Zoom Room named: POSTER CALCAGNO);

  • R. Shepard: “The efficient conversion between linear wavefunction expansions and nonlinear Graphically Contracted Function expansions” (Enter in the Zoom Room named: POSTER SHEPARD);

  • Y. Pillco Valencia: “Electronic properties of selenium-modified nucleic bases” (Enter in the Zoom Room named: POSTER PILLCO VALENCIA);

  • J. G. Vitillo: “Heme and nonheme single-iron catalytic sites in enzymes and in reticular frameworks for methane-to-methanol oxidation” (Enter in the Zoom Room named: POSTER VITILLO);

  • I. Öztürk: “Computational investigation of medical drugs with DNA nucleobase pairs by quantum chemical methods and QM/MM trial”  (Enter in the Zoom Room named: POSTER OZTURK).

 

 

 

  • B. E. Atkinson: “Ab initio paramagnetic NMR shifts with Hyperion”;

  • T. Piteša: “Excitonic Configuration Interaction: Going Beyond the Frenkel Exciton Model”;

  • H. Ye: “Exploiting the ‘Lego brick’ approach to predict accurate equilibrium structure of PA(N)Hs and biological building blocks”;

  • R. Feldmann: “Nuclear-Electronic Hartree-Fock Density Matrix Renormalization Group”;

  • S. I. Bokarev: “Spin dynamics in the basis of irreducible spherical tensors”;

  • O. Weingart: “Emission properties of the MIA chromophore in solid state environments”;

  • R. K. Jingar: “Accurate description of electric and magnetic dipole transitions in Eu3+ ions using selected spin-orbit quasi-degenerate perturbation theory”;