2016 Summer School @ Cornell

An Introduction to Density Functional Theory for Experimentalists

Cornell University
July 24, 2016 - July 29, 2016

Overview
Speakers & Bios
Handouts

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DFT (Summer School 2016)	Presenter
Introduction to PARADIM	Darrell Schlom
Density Functional Theory Lectures	Feliciano Giustino
1.1) An introduction (Ab initio) to materials modelling Lecture 1.1
1.2) Schrodinger equation and mean-field approximation - Lecture 1.2
2.1) Density Functional Theory - Lecture 2.1
2.2) Plane Waves and Pseudopotentials - Lecture 2.2
3.1) Equilibrium structures of materials - Lecture 3.1
3.2) Elastic properties of materials - Lecture 3.2
4.1) Vibrational properties and phonons in DFT (Lecture 4.1)
4.2) IR spectra & dielectric constants - Lecture 4.2
5.1) Band structures & optical spectra - Lecture 5.1
5.2) Limitations of DFT and post-DFT methods- Lecture 5.2
Density Functional Theory Hands-on tutorials	Feliciano Giustino
Tutorial 1.1 Connecting to MARCC, basic Linux commands, and a test run
Tutorial 2.1 Equilibrium structure of a diatomic molecule and a bulk crystal
Tutorial 3.1 Automatic optimization of crystal structure and elastic constants
Tutorial 4.1 Phonon Dispersion
Tutorial 5.1 Band structure and visualization of Kohn-Sham wavefunctions
Communication Lectures	Jack Goncalo
Communicating Creative Ideas
Managing and Leveraging Conflict
Sharing knowledge in interdisciplinary teams
Biases and Idea Recognition

Speakers & Bios

Feliciano Giustino
Professor of Materials
University of Oxford

Feliciano Giustino is Full Professor of Materials at the University of Oxford, and the 2017/18 Mary Shepard B. Upson Visiting Professor in Engineering at Cornell University. He holds an M.Sc. in Nuclear Engineering from Politecnico di Torino and a Ph.D. in Physics from the Ecole Polytechnique Fédérale de Lausanne. Before joining the Department of Materials at Oxford he was a postdoc at the Physics Department of the University of California at Berkeley. He specialises in electronic structure theory and the atomic-scale design of advanced functional materials. He is author of 100+ research papers and one book on Materials Modelling using Density Functional Theory, and he is Associate Editor of Computational Materials Science.

Jack Goncalo
Associate Professor
Dept. of Organizational Behavior
School of Industrial Labor Relations
Cornell University

A leading scholar in the area of creativity, Jack Goncalo is the Proskauer Professor in the Department of Organizational Behavior within the College of Industrial and Labor Relations. He investigates two key topics — how groups collaborate to generate more creative ideas than a individual can generate alone and how individuals generate ideas that differentiate from what is known. Most recently, Goncalo’s research examines the biases and errors that cause evaluators to ignore creative ideas and go for the mundane.

His publications, including the book — Research on Managing Groups and Teams: Creativity in Groups — have received extensive media coverage.

(click on links below to view)

Connecting to the Maryland Advanced Research Computing Center (MARCC) Tutorial (Feliciano Guistino)
An introduction to density functional theory for experimentalists (Feliciano Guistino)

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An Introduction to Density Functional Theory for Experimentalists

Speakers & Bios

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