Lectures and tutorials


Titles of the lectures:
Click on the title to dowload the relevant presentation!

Laura Gagliardi:
1. Post Hartree-Fock methods for electron correlations
2. Multireference methods for molecular magnets (part 1 and part 2)

Pietro Gambardella:
Assembly, electronic, and magnetic properties of molecules on metallic substrates (part 1, part 2 and part 3).

Geoffrey Hutchinson:
1. Data Mining for Fun and Profit: Finding Molecular Structure-Function Relationships in Organic Electronics;
2. Efficient Computational Discovery of Novel Molecules: Finding Needles in Haystacks

Jens Kortus:
1. How to build molecular magnets?
2. Metal-phthalocyanines: Materials for molecular spintronics

Jeffrey Neaton:
1. Predictive frameworks for understanding charge and spin transport in molecular junctions;
2. Comparing theory and experiment: charge transport, level alignment, and the GW approximation

Kyungwha Park:
First-principles study of single-molecule magnet Mn12 adsorbed on substrates or bridged between electrodes (lecture and tutorial)

Stefano Sanvito:
Quantitative electron transport from density functional theory Part 1

Roberta Sessoli:
1. Introduction to Single Molecule Magnets: the point of view of an experimentalist
2. Hybrid nanostructures based on SMMs

Gianluca Stefanucci:
Many-Body Perturbation Theory for the NEGF approach to quantum transport (lecture and tutorial)

Carsten Timm:
1. Molecular Electronics and the Master Equation: Theory
2. Molecular Electronics and the Master Equation: Applications
3. Molecular Electronics and the Master Equation: Tutorial

Herre van der Zant:
A single-molecule spin transistor

Tutorials (besides the ones specified above)

Ivan Rungger:
DFT-NEGF based quantum transport simulations

Jordi Ribas:
Ligand-induced changes of magnetic anisotropies in transition metal complexes

Baruah, Kortus, Park, Pederson, Ribas, Zope:
Computational Prediction & Optimization of Molecular Magnets on Stampede with NRLMOL

Jianwei Sun:
Meta-Generalized Gradient Approximations that Recognize Covalent, Metallic, and Weak Bonds

Josh Borycz:
Wavefunction-Based Compution of Isotropic Anisotropy Parameters