# Scientific Program

**Monday 17 th September**

**8.15 – 8.45RegistrationWelcome and introduction8.45 – 9.00 A. Droghetti9.00 – 9.45 N. Atodiresei - Interaction of π-electron systems with magnetic surfaces9.45 -10.30 E. Ruiz - Room Temperature Magnetoresistance in Single-Molecule Devices10.30 – 11.15 M. Persson - Charging in a single-molecule junction: Tunable magnetoresistance and reorganisation energy**

**Coffee**

**11.45 – 12.30 C. Weber - Many body effects in transition metal molecular systems12.30 – 13.15 H. Kulik - Accelerating discovery of new spin crossover materials with machine learning and alternative DFT approaches**

**Lunch**

**15.00 – 15.45 J. Lischner - Modelling quasiparticle excitations of adsorbate in 2d materials****15.45 – 16.30 L.K. Wagner - Diffusion quantum Monte Carlo for systems with spins**

**Coffee**

**17.00 – 17.45 G. Booth - Novel Wave Function Approaches17.45 – 18.30 L. Freitag - DMRG-based methods for strong correlation and spin-state problems18.30 – 19.00 Round table: how to tackle correlations in magnetic molecules?**

**Tuesday 18 th September**

**9.00 – 9.45 D. Ryndyk - STM investigation of molecules on surfaces: many-body quantum transport from level spectroscopy to Kondo****9.45 – 10.30 M. Grifoni - SU(2) x SU(2) Kondo effect in carbon nanotubes****10.30 – 11.15 J. Fransson - The relation between the electric current and magnetic interactions in molecular junctions**

**Coffee**

**11.45 – 12.30 D. Jacob - Transport signatures of nanoscale magnets from NanoDMFT****12.30 – 13.15 G. Sangiovanni** - **How to control the many-body effects of high-spin molecules**

**Lunch**

**15.00 – 15.45 V. Robert - Electron transport through spin crossover molecules**: **Inspections from wavefunction theory****15.45 – 16.30 A. Donarini - Apparent Reversal of Molecular Orbitals Reveals Entanglement****16.30 – 16.45 M. Camarasa-Gomez** - **Mechanically-tuneable charge transport in ferrocene-based molecular junctions**

**Coffee**

**17.15 – 18.00 C. Hermann Chemical approaches to the Kondo effect****18.00 – 18.45 N. Lorente Spin-flip scattering off spin chains, molecules and single adsorbates**

**Wednesday 19 th September****9.00 – 9.45 S. Sanvito - Phonon-induced spin relaxation in molecular magnets****9.45 – 10.30 J. Peralta - Spin Dynamics and Electron Transport from Time-Dependent Density Functional Calculations****10.30 – 11.15 G. Lefkidis - Nanospintronics and quantum thermodynamics in molecular magnets**

**Coffee**

**11.45 – 12.30 R. Korytar - Manifestations of a coherent Kondo lattice in adatoms****12.30 – 13.15 M. dos Santos Dias - Spin interactions, excitations and fluctuations in magnetic adatoms and small clusters****from first-principles****Lunch****15.00 – 15.45 G. Stefanucci - First-principles NEGF approach to ultrafast carrier dynamics****15.45 – 16.30 C. DeGraaf - Multiconfigurational electronic structure methods** **applied to spin anisotropy and excited state deactivation**

**Coffee**

**17.00 – 17.45 F. Evers - Charge transport in graphene nanoribbons:** **ab-initio simulations & model studies of strong correlations****17.45 – 18.30 P. Hedegard - Theory of Chiral induced spin Selectivity****18.30 – 19.00 Discussion: Where is molecular spintronics going?**

**Conference dinner (9 pm)**

Restaurant Ni Neu http://www.restaurantenineu.com/en/

*Thursday 20 th September*

9.00 – 9.45 E. Gull - Inchworm Quantum Monte Carlo for real-time dynamics

9.45 – 10.30 S. Kirchner - The rSPT approach to Kondo-correlated molecular junctions

10.30 – 11.15 R. Zitko - Numerical renormalization group investigations of magnetic impurities coupled to superconductors

**Coffee**

**11.45 – 12.30 S. Kurth - Steady-State Density Functional Theory**

**12.30 – 13.30 Round table: Defining the state-of-the-art for transport including strong electronic correlations.13.30 – 13.40 Concluding Remarks**