THEOS

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EPFL IMX Seminar Series
CECAM Workshops and Other Activities

Tuesday December 20, 5.15pm, Laura Gagliardi (University of Minnesota, USA)
Homogenous and heterogeneous catalysis: two challenges for modern quantum chemistry Abstract (pdf)

Thursday December 8th, 4pm, Vincenzo Vitelli (Leiden University, The Netherlands)
Topological Metamaterials Abstract (pdf)

Tuesday November 29th, 2pm, Sebastiano Peotta (Aalto University School of Science, Finland)
Superfluidity and geometry of Bloch bands Abstract (pdf)

Thursday November 24th, 11am, Oswaldo Diéguez (Tel Aviv University, Israel)
The effect of strain in the properties of ferroelectric perovskite oxides: a first-principles study Abstract (pdf)

Tuesday November 1st, 2pm, Antoine Emery (Northwestern University, USA)
High-Throughput Computational Screening of Perovskites for Thermochemical Water Splitting Applications Abstract (pdf)

Wednesday October 26th, 5.15pm, Clare P. Grey (University of Cambridge, Cambridge, UK)
Structure and Dynamics in Batteries, Supercapacitors and Fuel Cell Materials:Application of New Experimental and Theoretical Approaches to Study Function Abstract (pdf)

Tuesday August 23rd, 11am, V. I. Hegde (Northwestern University, USA)
Database driven computational materials discovery: the OQMD and its applications Abstract

Friday June 24th, 9.30am, G. Hautier (Université Catholique de Louvain, Belgium)
Accelerating materials discovery through high-throughput computing and data mining

Thursday June 23rd, 9.30am, G. Csányi (University of Cambridge, UK)
Fitting interatomic potentials to moderate and large amounts of DFT data

Wednesday June 22nd, 2.00pm, K. S. Thygesen (DTU, Denmark)
Computational screening for new solar energy materials

Tuesday June 21th, 11.00am, Ali Shakouri (Purdue University, USA)
Nanoscale reversible energy transport and irreversible thermal transport Abstract

Monday June 20th, 11.00am, Henrique Miranda (University of Luxembourg)
Raman Intensities of N-layer Transition Metal Dichalcogenides from First Principles Abstract

Tuesday June 7th, 11.00am, Rickard Armiento (Linköping University, Sweden)
Materials Design on Three Fronts: Fundamental Theory, Automation, and Artificial Intelligence Abstract

Friday May 27th, 12.00am, Nicephore Bonnet (Kurion-Veolia, Paris, France)
Computational Simulations of the Electrochemical Interface at the Atomic Scale Abstract

Thursday Apr 28th, 2.00pm, Filippo De Angelis (CNR-ISTM, Perugia, Italy)
Modeling dye-sensitized and perovskite solar cells from first principles: challenges and perspectives Abstract

Monday Apr 25th, 11.30am, Pietro Asinari (Politecnico di Torino)
Modelling solid-liquid interfaces and nanofluids for energy applications Abstract

Friday Jan 29th, 9.00am, Gianluca Fiori (University of Pisa)
From atoms to devices: a multi-scale approach for the simulation of 2D-material based devices Abstract