ss 2021 dft

July 11-17, 2021 

DFT group

Schedule:

All times given are Eastern Time (GMT -5hrs).

Speakers list  Handouts Videos Ubuntu Virtual Machine Lecture Q&A

Sunday, July 11

4:00pm – 5:00pm
Registration
Physical Sciences Building 401
5:00pm - 6:00pm
Computer Set-up
Physical Sciences Building 401
6:00pm - 7:00pm
Dinner
Physical Science Building 401
7:00pm - 8:30pm
Interdisciplinary Collaboration - Lynne Vincent
Physical Sciences Building 401

Monday, July 12

9:00am - 9:30 am
Continental Breakfast
Physical Sciences Building 401
9:30 -10:15 am
Public Theory Lecture - Ab initio materials modeling
 
10:15 -10:45 am
Break
 
10:45 -11:30 am
Public Theory Lecture - Many-body problem
Physical Sciences Building 401
11:30am - 1:30pm
Lunch
Physical Sciences Building 401
1:30 - 2:15pm
Practical Lecture
Upson Hall 225
2:15 - 2:30pm
Break
 
2:30 - 4:30pm
Hands-on Session
Upson Hall 225
6:30 - 7:30pm
Dinner Catered by Serendipity
Duffield Hall - Baum Atrium

Tuesday, July 13

9 - 9:30 am
Continental Breakfast
Physical Sciences Building 401
9:30 -10:15 am
Public Theory Lecture - Density-functional theory
Physical Sciences Building 401
10:15 -10:45 am
Break (Group Photo)
 
10:45 -11:30 am
Public Theory Lecture - Planewaves and pseudopotentials
Physical Sciences Building 401
11:30am - 1:30pm
Lunch
Physical Sciences Building 401
1:30 - 2:15pm
Practical Lecture
Upson Hall 225
2:15 - 2:30pm
Break
 
2:30 - 4:30pm
Hands-on Session
Upson Hall 225
6:30 - 7:30pm
Dinner
Agava Restaurant

Wednesday, July 14

9 - 9:30 am
Continental Breakfast
Physical Sciences Building 401
9:30 -10:30 am
Interdisciplinary Collaboration - Everest Simulation
Physical Sciences Building 401
10:30 -11:00 am
Break
 
11:00am -12:00pm
Interdisciplinary Collaboration- Everest Simulation Debrief
Physical Sciences Building 401
12:00pm - 1:30pm
Lunch
Physical Sciences Building 401
1:30 - 4:30pm
Optional Hand-on session
Upson 225
6:30 - 7:30pm
Dinner
Stewart Park (Small Pavillion)

Thursday, July 15

9 - 9:30 am
Continental Breakfast
Physical Sciences Building 401
9:30 -10:15 am
Public Theory Lecture - Equilibrium Structures
Physical Sciences Building 401
10:15 -10:45 am
Break
 
10:45am -11:30am
Public Theory Lecture - Elastic properties
Physical Sciences Building 401
11:30am - 1:30pm
Lunch
Physical Sciences Building 401
1:30 - 2:15pm
Practical Lecture
Upson Hall 225
2:15 - 2:30pm
Break
 
2:30 - 4:30pm
Hands-On Sessions
Upson Hall 225
6:00 - 6:30pm
Cascadilla Gorge walk to downtown Ithaca
Meet at Schwartz Center for the Performing Arts
6:30 - 7:30pm
Dinner
The Moosewood Restaurant

Friday, July 16

9 - 9:30 am
Continental Breakfast
Physical Sciences Building 401
9:30 -10:15 am
Public Theory Lecture - Phonons in DFT
Physical Sciences Building 401
10:15 -10:45 am
Break
 
10:45am -11:30am
Public Theory Lecture - IR spectra & Dielectric Constants
Physical Sciences Building 401
11:30am - 1:30pm
Lunch
Physical Sciences Building 401
1:30 - 2:15pm
Practical Lecture
Upson Hall 225
2:15 - 2:30pm
Break
 
2:30 - 4:30pm
Hands-On Sessions
Upson Hall 225
6:30 - 7:30pm
Dinner
Location TBA

Saturday, July 17

9 - 9:30 am
Continental Breakfast
Physical Sciences Building 401
9:30 -10:15 am
Public Theory Lecture - Band Structures & Optical spectra
Physical Sciences Building 401
10:15 -10:45 am
Break
 
10:45am -11:30am
Public Theory Lecture - DFT Beyond the LDA
Physical Sciences Building 401
11:30am - 1:30pm
Lunch
Physical Sciences Building 401
1:30 - 2:15pm
Practical Lecture
Upson Hall 225
2:15 - 2:30pm
Break
 
2:30 - 4:30pm
Hands-On Sessions
Upson Hall 225

 

DFT flier

 

FelicianoFeliciano Giustino (Special guest speaker)
W. A. "Tex" Moncrief, Jr. Chair in Quantum Materials Engineering
Professor of Physics

Feliciano Giustino is Professor of Physics, and holds the W. A. "Tex" Moncrief, Jr. Chair in Quantum Materials Engineering. He earned his Ph.D. in Physics at the Ecole Polytechnique Fédérale de Lausanne (EPFL), Switzerland, and held a post-doctoral appointment at the University of California, Berkeley. Prior to joining the University of Texas at Austin, he was a Professor of Materials at the University of Oxford, United Kingdom, and the Mary Shepard B. Upson Visiting Professor in Engineering at Cornell University. He is the recipient of a Leverhulme Research Leadership Award.

He specializes in electronic structure theory, high-performance computing, and the atomic-scale design of advanced materials using quantum mechanics. He is author of over 120 scientific publications and one book entitled "Materials Modelling using Density Functional Theory" published by Oxford University Press. He initiated the open-source software project EPW, which is regularly used by many research groups worldwide. He is primarily known for his work on electronic structure methods, and in particular for enabling accurate and efficient atomic-scale calculations of electron-phonon interactions and materials properties at finite temperature. His work on materials design led to the discovery of several new semiconductors for applications in energy and optoelectronics.

(ref. https://www.oden.utexas.edu/people/1669/ )  

Oden

 

Feliciano teachingTeam-Based Materials Discovery 

A team-based, multidisciplinary approach to materials-by-design is needed to increase the pace of new materials discovery. To that end, this course will also feature sessions designed to develop the team skills necessary to enable creative and productive collaborations among theorists, film/crystal growers, and microscopists / materials characterization experts. These sessions will bring an awareness to the challenges of team-based efforts and highlight strategies for reaping the benefits of collaborative work.

 

 

 

 

 

 

 

Betul teaching2021 DFT for Experimentalists Application (closed)

Registration (incl. fees & meals) will be provided.  Attendees cover travel & lodging in affordable on-campus housing.  Participants from non-R1 U.S. research institutions and colleges are encouraged to apply for a travel/housing grant.