Understanding Many-Particle Systems with Machine Learning

September 12 - December 16, 2016

Seminar Series


Tuesday, September 20, 2016

3:30 - 4:30
Geneviève Dusson (Université de Paris VI (Pierre et Marie Curie))

MPS Seminar Series: Estimation for Density Functional Theory


Thursday, September 22, 2016

3:30 - 4:00
Farren Curtis (Tulane University)

MPS Seminar: Molecular crystal structure prediction with the GAtor genetic algorithm package


Friday, September 23, 2016

11:00 - 12:00
Risi Kondor (University of Chicago)

Kernel Methods Tutorial


Tuesday, October 4, 2016

3:30 - 4:00
Ralf Banisch (Freie Universität Berlin)

MPS Seminar: Learning persistent dynamical structures from data with diffusion maps

4:00 - 4:30
Li Li and Felix Brockherde

Machine learning meets DFT: various aspects


Thursday, October 6, 2016

3:30 - 4:00
Katerine Saleme Ruiz (George Mason University)

MPS Seminar: A fracture model based on a discrete element method for polycrystalline materials

4:00 - 4:30
Kristof Schütt (Technische Universität Berlin)

Learning Atomistic Representations with Deep Tensor Neural Networks


Tuesday, October 11, 2016

3:30 - 4:00
Marina Meila (University of Washington)

MPS Seminar: Manifold Learning Tutorial


Thursday, October 13, 2016

3:30 - 4:00
Chris Anderson (University of California, Los Angeles (UCLA))

MPS Seminar: Construction of Ab-Initio methods using grid based discretizations


Tuesday, October 18, 2016

3:30 - 4:00
Alexander Shapeev (Skolkovo Institute of Science and Technology)

MPS Seminar: Active learning of linear interatomic potentials

4:00 - 4:30
Lorenzo Boninsegna (Rice University)

Complex energy landscapes: Theory and applications


Thursday, October 20, 2016

3:30 - 4:00
Grégoire Ferré (École Nationale des Ponts-et-Chaussées (ENPC))

Learning potential energy landscapes with localized graph kernels


Tuesday, November 1, 2016

3:30 - 4:00

Thursday, November 3, 2016

3:30 - 4:00
Martin Stöhr (Technical University Munich (TUM))

c-vdW: A charge population analysis-based approach to dispersion interactions


Tuesday, November 8, 2016

3:30 - 4:00
Ying Li (Argonne National Laboratory)

MPS Seminar: Nanocarbon Synthesis by High-temperature Oxidation of Nanoparticles

4:00 - 4:30
Johannes Hoja (Fritz-Haber-Institut der Max-Planck-Gesellschaft)

First-Principles Modeling of Molecular Crystals: The Role of Collective van der Waals Interactions and Thermal Fluctuations


Wednesday, November 9, 2016

3:30 - 4:00
Risi Kondor (University of Chicago)

Low rank and multiresolution approaches to accelerating kernel machines


Thursday, November 10, 2016

11:00 - 11:30
Alexandre Tkatchenko (University of Luxembourg)

A primer on van der Waals interactions and quantum fluctuations

3:30 - 4:00
Jan Hermann (Fritz-Haber-Institut der Max-Planck-Gesellschaft)

Nanoscale pi-pi stacked complexes bound by collective charge fluctuations

4:00 - 4:30
Sadasivan Shankar (Harvard University)

Why Molecular Design is so Hard in Practice?


Tuesday, November 22, 2016

11:00 - 12:00
Alexandre Tkatchenko (University of Luxembourg)

A primer on van der Waals interactions and quantum fluctuations (Part 2)


Tuesday, November 29, 2016

3:30 - 4:00
Mojtaba Haghighatlari (SUNY Buffalo)

From Structural Analysis to Fingerprints for Molecular Property Predictions


Wednesday, November 30, 2016

3:30 - 4:00
Claudia Draxl (Humboldt-Universität)

Tutorial: Big data analytics toolkit at NoMad


Thursday, December 1, 2016

3:00 - 3:30
Farnaz Heidar-Zadeh (McMaster University)

How Pervasive is the Hirshfeld Partitioning?

3:30 - 4:00
Huziel Sauceda (National Autonomous University of Mexico (UNAM))

Molecular dynamics using accurate energy-conserving machine learned force fields

4:00 - 4:30
Ekin Cubuk (Stanford University)

Machine learning the kinetic properties of solids