THEOS

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EPFL IMX Seminar Series
CECAM Workshops and Other Activities

Wednesday December 10th, 4pm, Dr. Rustam Z. Khaliullin (University of Zurich)
Computational and physical aspects of DFT for molecular systems based on absolutely localized molecular orbitals Abstract

Thursday November 13th, 2pm, Prof. Saulius Gražulis (Biotechnologijos Institutas Vilnius Universitetas, LTU)
Collaborative open databases: tools for tomorrow’s science Abstract

Friday November 7th, 11am, Dr. Anna Podolska (Curtin University, Bentley, Australia)
AlGaN/GaN gateless transistor for biosensing with living cells and proteins Abstract

Thursday November 6th, 4pm, Dr. Maximilian Amsler (University of Basel, CH)
Crystal structure prediction in materials design Abstract

Thursday October 23th, 3pm, Martin Uhrin (University College London, UK)
Crystal structures of a continuous periodic table: understanding structure using high-throughput Lennard-Jones structure prediction Abstract

Thursday October 16th, 2pm, Dr. Ivano Tavernelli (Laboratory of Computational Chemistry and Biochemistry, EPFL )
Nonadiabatic dynamics of complex molecular systems based on time-dependent density functional theory Abstract

Thursday September 4th, 4pm, Prof. Thomas E. Markland (Stanford University, CA, USA)
Quantum fluctuations in hydrogen bond networks: from atmospheric science to enzyme catalysis Abstract

Monday September 1st, 3pm, Prof. Dane Morgan (University of Wisconsin, Madison, USA)
Molecular understanding of solid oxide fuel cell catalysts Abstract

Wednesday July 30th, 11am, Prof. Emilio Artacho (CIC nanoGUNE and University of Cambridge)
On the origin of the two-dimensional electron gas between LaAlO3 and SrTiO3 Abstract

Wednesday July 9th, 11am, Dr. Daniele Stradi (Center for Nanostructured Graphene, Technical University of Denmark)
Magnetic functionalities in nanostructured epitaxial graphene by means of molecular deposition Abstract

Friday July 4th, 11am, Dr. Matthias Rupp (University of Basel)
Quantum Mechanics / Machine Learning Models Abstract

Thursday July 3rd, 3pm, Aris Marcolongo (SISSA)
Simulating ionic thermal transport by equilibrium ab-initio molecular dynamics Abstract

Wednesday May 21st, 2pm, Dr. Boris Kozinsky (Bosch Research Cambridge, MA)
Computational design of new materials for energy storage and conversion: batteries and thermoelectrics Abstract

Monday May 19th, 4pm, Nicola Colonna (Theory and Simulation of Condensed Matter, SISSA)
Correlation energy from ACFD framework including the exact-exchange kernel Abstract

Friday May 9th, 2pm, Prof. Damian Scherlis (Analytical and Physical Chemistry School of Sciences, University of Buenos Aires)
Classical Thermodynamics: How Small Can It Go? Abstract

Monday May 5th, 4pm, Dr. Ivano Castelli (CAMD, Technical University of Denmark)
High-throughput Screening of New Materials for Water Splitting Applications Abstract

Tuesday Feb 18th, 2:30pm, Dr. Fabio Pietrucci (Computational Chemical Physics on the Nanoscale, Institute of Theoretical Physics, EPFL)
Simulation and analysis of chemical reactions and phase transitions based on new general-purpose structural fingerprints Abstract

Tuesday Jan 21, 2pm, Dr. Alexandre Tkatchenko (Organic Functional Materials and Intermolecular Interactions, Fritz-­‐Haber Institute, Berlin)
Van der Waals Interactions in Molecules and Materials: Breaking Preconceived Notions Abstract