Tuesday, September 20, 2016
Afternoon Session
15:30-16:30
Geneviève Dusson (Université de Paris VI (Pierre et Marie Curie))
MPS Seminar Series: Estimation for Density Functional TheoryUnderstanding Many-Particle Systems with Machine Learning
September 12 - December 16, 2016
Seminar Series
All times in this Schedule are Pacific Time (PT)
Thursday, September 22, 2016
Afternoon Session
15:30-16:00
Farren Curtis (Tulane University)
MPS Seminar: Molecular crystal structure prediction with the GAtor genetic algorithm packageFriday, September 23, 2016
Morning Session
11:00-12:00
Risi Kondor (University of Chicago & Flatiron Institute)
Kernel Methods TutorialTuesday, October 4, 2016
Afternoon Session
15:30-16:00
Ralf Banisch (Freie Universität Berlin)
MPS Seminar: Learning persistent dynamical structures from data with diffusion maps16:00-16:30
Li Li and Felix Brockherde ()
Machine learning meets DFT: various aspectsThursday, October 6, 2016
Afternoon Session
15:30-16:00
Katerine Saleme Ruiz (George Mason University)
MPS Seminar: A fracture model based on a discrete element method for polycrystalline materials16:00-16:30
Kristof Schütt (Technische Universität Berlin)
Learning Atomistic Representations with Deep Tensor Neural NetworksTuesday, October 11, 2016
Afternoon Session
15:30-16:00
Marina Meila (University of Waterloo)
MPS Seminar: Manifold Learning TutorialThursday, October 13, 2016
Afternoon Session
15:30-16:00
Chris Anderson (University of California, Los Angeles (UCLA))
MPS Seminar: Construction of Ab-Initio methods using grid based discretizationsTuesday, October 18, 2016
Afternoon Session
15:30-16:00
Alexander Shapeev (Skolkovo Institute of Science and Technology)
MPS Seminar: Active learning of linear interatomic potentials16:00-16:30
Lorenzo Boninsegna (Rice University)
Complex energy landscapes: Theory and applicationsThursday, October 20, 2016
Afternoon Session
15:30-16:00
Grégoire Ferré (École Nationale des Ponts-et-Chaussées (ENPC))
Learning potential energy landscapes with localized graph kernelsTuesday, November 1, 2016
Afternoon Session
15:30-16:00
Glenn Martyna (IBM Watson Research Center)
The Piezoelectronic Transistor - A nanoscale, strain-based transduction device for fast low power switching16:00-16:30
Thursday, November 3, 2016
Afternoon Session
15:30-16:00
Martin Stöhr (University of Luxembourg)
c-vdW: A charge population analysis-based approach to dispersion interactions 16:00-16:30
Tuesday, November 8, 2016
Afternoon Session
15:30-16:00
Ying Li (Argonne National Laboratory)
MPS Seminar: Nanocarbon Synthesis by High-temperature Oxidation of Nanoparticles16:00-16:30
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 FluctuationsWednesday, November 9, 2016
Afternoon Session
15:30-16:00
Risi Kondor (University of Chicago & Flatiron Institute)
Low rank and multiresolution approaches to accelerating kernel machinesThursday, November 10, 2016
Morning Session
11:00-11:30
Alexandre Tkatchenko (University of Luxembourg)
A primer on van der Waals interactions and quantum fluctuationsAfternoon Session
15:30-16:00
Jan Hermann (Freie Universität Berlin)
Nanoscale pi-pi stacked complexes bound by collective charge fluctuations16:00-16:30
Sadasivan Shankar (Harvard University)
Why Molecular Design is so Hard in Practice?Tuesday, November 22, 2016
Morning Session
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
Afternoon Session
15:30-16:00
Mojtaba Haghighatlari (Pfizer Central Research)
From Structural Analysis to Fingerprints for Molecular Property PredictionsWednesday, November 30, 2016
Afternoon Session
15:30-16:00
Claudia Draxl (Humboldt-Universität)
Tutorial: Big data analytics toolkit at NoMadThursday, December 1, 2016
Afternoon Session
15:00-15:30
Farnaz Heidar-Zadeh (McMaster University)
How Pervasive is the Hirshfeld Partitioning?15:30-16:00
Huziel Sauceda (National Autonomous University of Mexico (UNAM))
Molecular dynamics using accurate energy-conserving machine learned force fields