Workshop I: Optimization and Optimal Control for Complex Energy and Property Landscapes

October 2 - 6, 2017

Schedule


Monday, October 2, 2017

9:00 - 9:40
10:15 - 10:55
11:30 - 12:10
2:30 - 3:10
4:00 - 4:40
Lightning Poster Presentations

5:00 - 6:30
Poster Session & Reception


Tuesday, October 3, 2017

9:00 - 9:40
10:15 - 10:55
11:30 - 12:10
2:30 - 3:10
Maosheng Miao (California State University, Northridge (CSU Northridge))

Automatic search versus chemical rules in materials structure study

4:00 - 4:40

Wednesday, October 4, 2017

9:00 - 9:40
10:15 - 10:55
11:30 - 12:10
Luca Ghiringhelli (Fritz-Haber-Institut der Max-Planck-Gesellschaft)

A meta-machine-learning method for identifying effective descriptors of materials properties

 
2:30 - 3:10
Bjork Hammer (Aarhus University)

Local energy decomposition via machine learning

4:00 - 4:40

Thursday, October 5, 2017

9:00 - 9:40
10:15 - 10:55
Noa Marom (Carnegie-Mellon University)

Structure Prediction of Molecular Crystals with GAtor and Genarris

11:30 - 12:10
Anastassia Alexandrova (University of California, Los Angeles (UCLA))

Ensemble representation of surface-mounted cluster catalysts

2:30 - 3:10
Karsten Reuter (Technical University Munich (TUM))

Exploring discrete and continuous landscapes
PDF Presentation


Friday, October 6, 2017

9:00 - 9:40
Geoffrey Hutchison (University of Pittsburgh)

Exploring the Small Molecule Conformer Problem

10:20 - 11:00
11:35 - 12:15
Oliver Hofmann (Technische Universit├Ąt Graz)

Surface Adsorbate Polymorph Prediction With Little Effort

 
2:30 - 3:10
Nick Sahinidis (Carnegie-Mellon University)

ALAMO: Machine learning from data and first principles
Presentation (PowerPoint File)

 
4:00 - 4:40
Stephen Wright (University of Wisconsin-Madison)

Algorithmic Tools for Smooth Nonconvex Optimization
PDF Presentation