THEOS

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EPFL IMX Seminar Series
CECAM Workshops and Other Activities

Thursady December 14th, 11.15am, Davide Ceresoli (CNR-ISTM, Milano)
NMR and EPR parameters from ab-initio Abstract (pdf)

Thursady September 21st, 4.15pm, Cris Van de Walle (University of California, Santa Barbara)
Using the right criteria for design and discovery Abstract (pdf)

Monday September 11th, 4.15pm, Yang Shao-Horn (Massachusetts Institute of Technology)
The Future of Electrochemistry Abstract (pdf)

Thursday July 27th, 12am, Stefano Curtarolo (Duke University)
Materials synthesizability Abstract (pdf)

Monday July 24th, 2pm, Boris I. Yakobson (Rice University)
Predictive modeling of 2D materials, synthesis to properties Abstract (pdf)

Friday July 21th, 11.15am, Steven G. Louie (University of California at Berkeley)
The Fascinating Quantum World of Two-dimensional Materials: Interaction and Topological Effects Abstract (pdf)

Thursday June 29th, 4.15pm, Sameer Varma (University of South Florida)
Design principles for selective ion transport across membranes Abstract (pdf)

Tuesday May 31th, 2pm, Marco Fornari (Central Michigan University)
Structuring intuition with theory: The high-throughput Abstract (pdf)

Tuesday May 30th, 3.45pm, Chris J. Pickard (University of Cambridge)
Random search as high throughput computation Abstract (pdf)

Tuesday May 30th, 9.30am, Stefano Sanvito (Trinity College Dublin)
High-throughput electronic structure theory: do we need to calculate always everything? Abstract (pdf)

Monday May 29th, 4.30pm, Thomas Bligaard (Stanford University)
Accelerating high-throughput simulations using machine learning methods. Abstract (pdf)

Monday May 29th, 3pm, Edwin Knobbe (BMW Group)
Some challenges for electro-chemical simulations of Li-ion batteries with automotive applications. Abstract (pdf)

Tuesday May 16th, 4.15pm, Annabella Selloni (Princeton University)
Photocatalysis on TiO2: insights from simulations Abstract (pdf)

Friday May 12th, 11am, Matthias Geilhufe (NORDITA)
Organic Dirac materials, data-driven modeling and materials prediction -- application of the Organic Materials DataBase (OMDB) Abstract (pdf)

Wednesday April 12th, 11am, Marco Bernardi (Caltech)
Ab Initio Electron-Phonon Calculations: Theory, Computation, and Application to Carrier Dynamics Abstract (pdf)

Wednesday March 8th, 4.15pm, Markus Reiher (ETH Zurich)
Interactive and Automated Exploration of Reaction Mechanisms Abstract (pdf)

Tuesday February 7th, 10am, Antoine Levitt (Inria Paris & CERMICS, France)
Robust construction of Wannier functions Abstract (pdf)