# Workshop on Computational Techniques in Materials Genomics
May 16 - 19, 2016  
University of Florida - REEF  
1350 North Poquito Road, Shalimar, FL 32579

## Program

### Monday, May 16, 2016 - Auditorium

**8:30 - 8:45** Opening Remarks  
**8:45 - 10:15** Part I - Introduction to Density Functional Theory - Basic algorithms and functionalities, Dr. Marco Buongiorno Nardelli, University of North Texas  
**10:15 - 10:45** Coffee Break  
**10:45 - 12:15** Part II - Introduction to Density Functional Theory - Basic algorithms and functionalities, Dr. Marco Buongiorno Nardelli, University of North Texas  
**12:15 - 1:30** Lunch Break  
**Afternoon Tutorial Sessions 1:30 - 5:00 - Room 117**  
**1:30 - 3:00** Tutorial, Dr. Arrigo Calzolari, Istituto Nanoscienze CNR-NANO-S3  
**3:00 - 3:30** Coffee Break  
**3:30 - 5:00** Tutorial, Dr. Arrigo Calzolari, Istituto Nanoscienze CNR-NANO-S3

### Tuesday, May 17, 2016 - Auditorium

**08:45 - 10:15** Part I - Electronic and transport properties from atomic basis representations, Dr. Marco Buongiorno Nardelli, University of North Texas  
**10:15 - 10:45** Coffee Break  
**10:45 - 12:15** Part II - Electronic and transport properties from atomic basis representations, Dr. Marco Buongiorno Nardelli, University of North Texas  
**Afternoon Tutorial Sessions 1:30 - 5:00 - Room 117**  
**1:30 - 3:00** Tutorial, Dr. Arrigo Calzolari, Istituto Nanoscienze CNR-NANO-S3  
**3:00 - 3:30** Coffee Break  
**3:30 - 5:00** Tutorial, Dr. Arrigo Calzolari, Istituto Nanoscienze CNR-NANO-S3

---

### Wednesday, May 18, 2016 - Room 117

**8:45 - 10:15** Part I - Lattice dynamics, dielectric properties and vibrational spectroscopies - novel functionals, Dr. Marco Fornari  
**10:15 - 10:45** Coffee Break  
**10:45 - 12:15** Part II - Lattice dynamics, dielectric properties and vibrational spectroscopies - novel functionals, Dr. Marco Fornari  
**12:15 - 1:30** Lunch Break  
**Afternoon Tutorial Sessions 1:30 - 5:00 - Room 117**  
**1:30 - 3:00** Tutorial, Dr. Arrigo Calzolari, Istituto Nanoscienze CNR-NANO-S3  
**3:00 - 3:30** Coffee Break  
**3:30 - 5:00** Tutorial, Dr. Arrigo Calzolari, Istituto Nanoscienze CNR-NANO-S3

### Thursday, May 19, 2016 - Auditorium

**8:45 - 10:15** Part I - High-throughput computational materials tools and databases, Dr. Marco Fornari, Central Michigan University  
**10:15 - 10:45** Coffee Break  
**10:45 - 12:15** Part II - High-throughput computational materials tools and databases, Dr. Marco Fornari, Central Michigan University  
**12:15 - 1:30** Lunch Break  
**Post-Workshop Seminars: Thursday, May 19, 2016, 1:30 - 4:30 - Auditorium**  
**1:30 - 2:15** DREAM.3D/SIMPL as a data management and analytics tool, Dr. Michael Groeber, Materials and Manufacturing Directorate, AFRL  
**2:15 - 3:00** Automated, data-driven characterization systems for autonomous materials quantification, Dr. Michael Groeber and Dr. Michael Uchic, Materials and Manufacturing Directorate, AFRL  
**3:00 - 3:30** Coffee Break  
**3:30 - 4:15** New analytics approaches to understanding metallic additive manufacturing for tailored design, Dr. Michael Groeber and Dr. Edwin Schwalbach, Materials and Manufacturing Directorate, AFRL  
**4:15 - 5:00** Networks of materials: Models and algorithms, Dr. Sergiy Butenko, Industrial and Systems Engineering Department, Texas A&M University