Corona Virus Information Updated February 5, 2021

DFT SS 2021

An Introduction to Density Functional Theory for Experimentalists

July 11-17, 2021

 

DFT flier

 

 

felliciano
Special guest speaker: Feliciano Guistino, University of Texas at Austin

 

 

Betul teaching

Team-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.

2021 DFT for Experimentalists Application

DFT SS 2021

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.

Proposed schedule:

Speakers list

Introduction to Density Functional Theory for Experimentalists

Sunday, July 11

4:00pm – 5:00pm
Registration
Location TBA

Monday, July 12

9 - 9:30 am
Continental Breakfast
Location TBA
9:30 -10:15 am
Theory Lecture 1
Ab initio materials modeling
10:15 -10:45 am
Break
 
10:45 -11:30 am
Theory Lecture 2
Many-body problem
11:30am - 1:30pm
Lunch
 
1:30 - 2:15pm
Practical Lecture
 
2:15 - 2:30pm
Break
 
2:30 - 4:30pm
Hands-on Session
 
5:30 - 6:30pm
Social Activity TBA
For those who signed up in advance
6:30 - 7:30pm
Dinner
Location TBA

Tuesday, July 13

9 - 9:30 am
Continental Breakfast
Location TBA
9:30 -10:15 am
Theory Lecture 1
Density-functional theory
10:15 -10:45 am
Break
 
10:45 -11:30 am
Theory Lecture 2
Planewaves and pseudopotentials
11:30am - 1:30pm
Lunch
 
1:30 - 2:15pm
Practical Lecture
 
2:15 - 2:30pm
Break
 
2:30 - 4:30pm
Hands-on Session
 
6:30 - 7:30pm
Dinner
Location TBA

Wednesday, July 14

9 - 9:30 am
Continental Breakfast
Location TBA
9:30 -10:30 am
Everest Simulation
Professor Lynne Vincent
10:30 -11:00 am
Break
 
11:00am -12:00pm
Everest Simulation Debrief
Professor Lynne Vincent
12:00pm - 1:30pm
Lunch
 
1:30 - 4:30pm
Optional Hand-on session
 
3:45 - 5:00pm
Social Activity TBA
For those who signed up in advance
6:30 - 7:30pm
Dinner
Location TBA

Thursday, July 15

9 - 9:30 am
Continental Breakfast
Location TBA
9:30 -10:15 am
Theory Lecture 1
Equilibrium Structures
10:15 -10:45 am
Break
 
10:45am -11:30am
Theory Lecture 2
Elastic properties
11:30am - 1:30pm
Lunch
 
1:30 - 2:15pm
Practical Lecture
 
2:15 - 2:30pm
Break
 
2:30 - 4:30pm
Hands-On Sessions
 
6:30 - 7:30pm
Dinner
Location TBA

Friday, July 16

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

Saturday, July 17

9 - 9:30 am
Continental Breakfast
Location TBA
9:30 -10:15 am
Theory Lecture 1
Band Structures & Optical spectra
10:15 -10:45 am
Break
 
10:45am -11:30am
Theory Lecture 2
DFT Beyond the LDA
11:30am - 1:30pm
Lunch
 
1:30 - 2:15pm
Practical Lecture
 
2:15 - 2:30pm
Break
 
2:30 - 4:30pm
Hands-On Sessions