Workshop I: Machine Learning Meets Many-Particle Problems

September 26 - 30, 2016

Schedule

All times in this Schedule are Pacific Time (PT)

Monday, September 26, 2016

Morning Session

8:00 - 8:55 Check-In/Breakfast (Hosted by IPAM)
8:55 - 9:00 Welcome and Opening Remarks (Illumination Room)
9:00 - 9:50
10:00 - 10:15 Break
10:15 - 11:05
11:15 - 11:30 Break
11:30 - 12:20
Yousung Jung (Korea Advanced Institute of Science and Technology (KAIST))

Machine learning approaches to the configuration energies and chemisorption models in solids

12:30 - 2:30 Lunch (on your own)

Afternoon Session

2:30 - 3:20
Klaus-Robert Müller (Technische Universität Berlin)

 

 
3:30 - 4:00 Break
4:00 - 4:50
5:00 - 6:30 Reception (Hosted by IPAM) & Poster Session

Tuesday, September 27, 2016

Morning Session

8:15 - 9:00 Breakfast (hosted by IPAM)
9:00 - 9:50
Michele Ceriotti (École Polytechnique Fédérale de Lausanne (EPFL))

Using machine learning to map the structure and predict the properties of materials and molecules
PDF Presentation

 
10:00 - 10:15 Break
10:15 - 11:05
Anatole von Lilienfeld (Universität Basel)

Quantum Mechanics, Chemical Space, and Machine Learning
PDF Presentation

 
11:15 - 11:30 Break
11:30 - 12:20
Matthias Scheffler (Fritz-Haber-Institut der Max-Planck-Gesellschaft)

Learning descriptors from materials-science (big) data

12:30 - 2:30 Lunch (on your own)

Afternoon Session

2:30 - 3:20
3:30 - 4:00 Break
4:00 - 4:50

Wednesday, September 28, 2016

Morning Session

8:15 - 9:00 Breakfast (hosted by IPAM)
9:00 - 9:50
José Miguel Hernández-Lobato (University of Cambridge)

Bayesian Optimization for Accelerated Exploration of Chemical Space

10:00 - 10:15 Break
10:15 - 11:05
11:15 - 11:30 Break
11:30 - 12:20
12:30 - 2:30 Lunch (on your own)

Afternoon Session

2:30 - 3:20
Stefan Tautz (Forschungszentrum Jülich)

Perspectives of Molecular Manipulation and Fabrication
PDF Presentation

 
3:30 - 4:00 Break
4:00 - 4:50

Thursday, September 29, 2016

Morning Session

8:15 - 9:00 Breakfast (hosted by IPAM)
9:00 - 9:50
Christian Wagner (Forschungszentrum Jülich)

Controlled mechanical manipulation of molecules

10:00 - 10:15 Break
10:15 - 11:05
Robert DiStasio (Cornell University)

The Dipole Polarizability of a Condensed-Phase Water Molecule

11:15 - 11:30 Break
11:30 - 12:20
12:30 - 2:30 Lunch (on your own)

Afternoon Session

2:30 - 3:20
Matthias Rupp (Fritz-Haber-Institut der Max-Planck-Gesellschaft)

New dataset, validation experiments, and representation for interpolation across chemical compound space

3:30 - 4:00 Break
4:00 - 4:50
Panel Discussion

 


Friday, September 30, 2016

Morning Session

8:15 - 9:00 Breakfast (hosted by IPAM)
9:00 - 9:50
10:00 - 10:15 Break
10:15 - 11:05
11:15 Conclusion