## June 30

**"Modeling materials using density-functional theory and digital computers: the plane-wave pseudopotential way",**Stefano Baroni, Slides

**"Doing simple calculations with Quantum ESPRESSO",**Shobhana Narasimhan, Slides

**"Hands On: scf, Energy bands, and eqn of state",**Madhura Marathe, Tutorial

## July 1

**"Pseudopotentials ",**Shobhana Narasimhan, Slides

**"Brillouin zone sampling, Metals and Smearing",**Shobhana Narasimhan, Slides

**"Exchange correlation & hybrid functionals",**Stefano de Gironcoli, Slides

**"Hands On: scf, dos, energy bands for Al, Cu calculations",**Madhura Marathe, Tutorial

## July 2

**"Forces, stress; Atomic and cell optimizations",**Stefano de Gironcoli, Slides

**"The Importance of Being the Right Shape: Interplay of Geometric and Electronic Structures in Atomic Clusters",**Prasenjit Sen, Slides

**"Hands On: Geometry, cell optimization",**Madhura Marathe, Tutorial

## July 3

**"Magnetism in DFT: from theory to practice",**Cyrille Barreteau, Slides

**"Electronic Structure of Novel Magnetic Systems: Insights from Spin-Polarized Density Functional Theory",**Indra Dasgupta, Slides

**"Spin polarized electron scattering: A method to probe magnetism at surfaces",**P. S. Anilkumar, Slides(yet to upload)

**"Hands On: Magnetism",**Cyrille Barreteau, Tutorial

## July 4

**"Corrections to xc functionals for strongly correlated systems: DFT+U",**Matteo Cococcioni, Slides

**"Strongly correlated electrons: LDA+U in practice",**Tanusri Saha-Dasgupta, Slides

**"Hands On: DFT + U",**Matteo Cococcioni, Tutorial

## July 5

**"Classical MD, Ab-initio MD, CPMD" and "Thermodynamic of clusters using multiple histogram method",**Dilip G. Kanhere, Slides

**"Hands On: CPMD",**Vardharajan Srinivasan, Tutorial

## July 7

**"TDDFT: Basics + Lancoz + Davidson",**Ralph Gebauer, Slides

**"Optical absorption spectra of chromophores in solution: the role of the solvent",**Ralph Gebauer, Slides

**"Electron correlation in excited states: Challenges to the electronic structure theorie",**Sourav Pal, Slides

**"Hands On: TDDFT",**Ralph Gebauer, Tutorial

## July 8

**"The GW approximation",**Manish Jain, Slides

**"Defects in materials",**Manish Jain, Slides

**"Introduction to GW in QE: the GWW code",**Margherita Marsili, Slides

**"Hands On: GW",**Margherita Marsili, Tutorial

## July 9

**"First-principles Determination of Phonons and Related Properties",**Umesh V Waghmare, Slides

**"Phonons and Related Phenomena in Materials",**Umesh V Waghmare, Slides

**"Hands On: Phonons",**Sharmila Shirodkar, Tutorial

## July 10

**"Theory of Berry phases for Bloch states: Polarization and more",**David Vanderbilt, Slides

**"Ferroaxial Multiferroics: A novel combination of Magnetic and Polar Order",**Sunil Nair, Slides

**"Topological insulators and the quantum anomalous Hall state",**David Vanderbilt, Slides

**"Hands On: Berry phases",**Sharmila Shirodkar, Tutorial

## July 11

**"Vibrational Spectroscopy via Computer Simulations: Raman, Infra-Red and Related Methods",**Ari Seitsonen, Slides

**"Applications of Raman in MOFs, Multiferroics and Proteins",**Chandrabhas Narayan, Slides

**"Hands On: IR and Raman ",**Sharmila Shirodkar, Tutorial

## July 12

**"Use of QE in HPC: trend in technology for HPC, basics of parallelism and performance features",**Ivan Girotto, Slides

**"Use of GPU based HPC in Material Simulations",**Ananda Bhattacharjee, Slides

**"Use of QE in HPC: overview of implementation and usage of the QE-GPU",**Ivan Girotto, Slides

**"Use of QE in HPC: overview of implementation and usage of the QE-GPU",**Ivan Girotto, Tutorial