Program

All talks will be in Room 1106, Mechanical Engineering Building, 1513 University Ave, Madison WI, 53706.  Please see a Campus Map here.  The Poster Session and lunches will be in the Lobby of the Mechanical Engineering Building.  The banquet will be at Steenbocks on Orchard (330 N. Orchard Street, Madison WI).

Download the Program and Poster Roster here.
Download the Complete Program and Abstracts here.


Digital recordings of the presentations from the workshop, kindly provide by the UW College of Engineering, can be found here.
Monday 5/19

8:00            Registration (continental breakfast)

8:30            Welcome: Izabela Szlufarska (U. Wisconsin), Dean Ian Roberston (U. Wisconsin)

Data Mania - High-throughput Computing, Databases, and Data Mining
(Bring laptops, update java, register account with Materials Hub at materialshub.org)

9:00            Anubhav Jain (Lawrence Berkeley National Laboratory) - Lecture: The Materials Project: An Electronic Structure Database and Its Application to Materials Design

9:45            Break

10:00          Anubhav Jain (Lawrence Berkeley National Laboratory) - Tutorial: The Materials Project: An Electronic Structure Database and Its Application to Materials Design

11:00          Break

11:15          Stefano Curtarolo (Duke U.) - Lecture: The High-Throughput Highway to Accelerated Materials Design; Next Exit: Thermoelectrics

12:00          Daniel Katz (National Science Foundation) - Lecture: Software as Infrastructure at NSF

12:30          Lunch

2:00            Stefano Curtarolo (Duke U.) - Tutorial: A RESTful API for Exchanging Materials Data in the AFLOLIB.org Consortium

3:00            Break

3:15            Dane Morgan (U. Wisconsin) - Lecture: High Throughput Ab Initio Defect and Diffusion Modeling with MAST

4:00            Break

4:15            Dane Morgan (U. Wisconsin) - Tutorial: High Throughput Ab Initio Defect and Diffusion Modeling with MAST 

5:15            Group photo

5:30            End (Dinner on your own)

 

Tuesday 5/20

Facing the Interface

8:15            Continental Breakfast

8:45            Jan Rossmeisl (Technical U. Denmark) - Lecture 1: Electrocatalysis at the Atomic Scale

9:30            Break

9:45            Jan Rossmeisl (Technical U. Denmark) - Lecture 2: Electrocatalysis at the Atomic Scale

10:30          Break

10:45          Hendrik Heinz (U. Akron) - Lecture 1: The Interface Force Field to Unite Materials and Biomolecular Simulation in a Single Platform: Examples of Protein Recognition on Metals, Silicates, and Phosphates

11:30          Break

11:45          Hendrik Heinz (U. Akron) - Lecture 2: The Interface Force Field to Unite Materials and Biomolecular Simulation in a Single Platform: Examples of Protein Recognition on Metals, Silicates, and Phosphates

12:30          Lunch

2:00            Students prepare questions

2:30-3:30    Q&A with Jan Rossmeisl, Hendrik Heinz

3:30            Break, Poster Set-up

3:45            Poster session (Even numbered poster, stand by poster 3:45-4:45; Odd numbered poster, stand by poster 4:45-5:45)

5:45            End

 

Wednesday 5/21

Facing the Interface (continued)

8:15            Continental Breakfast

8:45            Juan de Pablo (U. Chicago) - Lecture 1: Block Polymer Directed Assembly, and the Role of Interfaces

9:30            Break

9:45            Juan de Pablo (U. Chicago) - Lecture 2: Liquid Crystal Interfaces, and their Coupling with Bulk Properties

10:30          Break

Potentially Perfect - Next Generation Potentials

10:45          Susan Sinnott (U. Florida) - Lecture 1: Material Surfaces, Grain Boundaries and Interfaces: Role of Interatomic Potentials in Enabling Atomic-Scale Simulations

11:30          Break

11:45          Susan Sinnott  (U. Florida) - Lecture 2: Material Surfaces, Grain Boundaries and Interfaces: Role of Interatomic Potentials in Enabling Atomic-Scale Simulations

12:30          Lunch

2:00            Ivan Oleynik (U. South Florida) - Lecture 1: Interatomic Potentials for Simulation of Materials at Extreme Conditions

2:45            Break

3:00            Ivan Oleyink (U. South Florida)- Lecture 2: Interatomic Potentials for Simulation of Materials at Extreme Conditions

3:45            Students prepare questions

4:15-5:15    Q&A with Juan de Pablo, Susan Sinnott, Ivan Oleynik

6:00-8:00    Conference dinner at Steenbocks on Orchard (330 N. Orchard Street, Madison WI, 53715)

 

Thursday 5/22

Potentially Perfect - Next Generation Potentials (continued)

8:15            Continental Breakfast

8:45            Adri Van Duin (Penn State U.) - Lecture 1: The ReaxFF Reactive Force Field Method - Concepts and Applications

9:30            Break

9:45            Adri van Duin (Penn State U.) - Lecture 2: The ReaxFF Reactive Force Field Method - Concepts and Applications

10:30          Break

10:45          Ryan J Kershner (Thermo Fisher Scientific) - Lecture: I Can Do That!: Translating Academic Skills to the Business World

11:45          Lunch

1:15            Qiang Cui (U. Wisconsin) - Lecture 1: Potential Functions and Sampling for Interfacial Problems - Challenges, Developments and Applications

2:00            Break

2:15            Qiang Cui (U. Wisconsin) - Lecture 2: Potential Functions and Sampling for Interfacial Problems - Challenges, Developments and Applications

3:00            Students prepare questions

3:30-4:30    Q&A with Adri Van Duin, Qiang Cui

4:30            Wrap up/Evaluation (bring laptops)

5:00            End Workshop