Past events

The second edition of the MARVEL/Psi-k/MaX “Tutorial on high-throughput computations: general methods and applications using AiiDA” will take place on May 29-31, 2017 at EPFL (Lausanne, Switzerland).

Tuesday May 16, 2017, 4:15 pm, EPFL MXF-1,  Prof.  Annabella Selloni (Princeton University), Photocatalysis on TiO2: insights from simulations

Welcome to the seventh MARVEL Junior Seminar on Thursday May 11, 2017, 12:15 pm, EPFL, room MED 0 1418. Piero Gasparotto (EPFL, COSMO) gives a presentation on 'Probabilistic Analysis of Molecular Motifs' and Ariadni Boziki (EPFL, LCBC) on 'Phase discovery of organic-inorganic halide perovskites'. The seminar is facilitated by Sandip De.

The third MARVEL site visit will take place at EPFL on April 25-26, 2017.

Welcome to the sixth MARVEL Junior Seminar on Thursday April 6, 2017, 12:15 pm, EPFL, room MED 0 1418. Vamshi Mohan Katukuri (EPFL, C3MP) gives a presentation on 'Material realization of Kitaev model on honeycomb lattice' and Quang Van Nguyen (EPFL, LIONS) on 'Quantum properties prediction from optimization point of view'. The seminar is facilitated by Fernando Gargiulo.

Information event about the "Fix the leaky pipeline!" program on Thursday 30 March 2017, 9:45-16:00 at SERI – State Secretariat for Education, Research & Innovation – Einsteinstr. 2, 3005 Berne.

On Tuesday March 21, EPFL will welcome for the second time the Ig Nobel Award Tour Show, with Marc Abrahams and a line-up of Ig Nobel Prize winners, with the support of the NCCR MARVEL.

Welcome to the fifth MARVEL Junior Seminar on Thursday March 9, 2017, 12:15 pm, EPFL, room MED 0 1418. Assil Bouzid (EPFL, CSEA) gives a presentation on 'Redox levels through constant Fermi-level ab initio molecular dynamics' and Nicolas Hörmann (EPFL, THEOS) on 'Grand-canonical first-principles simulations of electrochemical interface'. The seminar is facilitated by Ariadni Boziki .

Wednesday March 8, 2017, 4:15 pm, EPFL MXF-1,  Prof. Markus Reiher (ETH Zurich), Interactive and Automated Exploration of Reaction Mechanisms

This meeting with both MARVEL and MaX members aims to encourage collaborations and to discuss about integration of workflows, plugins and curated data within AiiDA and Materials cloud. Furthermore, during the event an advanced AiiDA tutorial for experienced AiiDA users will be held. The event will be recorded and videos uploaded to the MaterialsCloud YouTube channel.

This MARVEL school will cover the use of variationally enhanced sampling for obtaining free energies and kinetic rates both from classical and ab initio molecular dynamics. Other methods such as metadynamics will also be covered. Focus will be made on the use of these methods for applications related to materials science. The school will include hands-on tutorials using PLUMED 2 with various molecular dynamics codes. 

Welcome to the fourth MARVEL Junior Seminar on Thursday February 9, 2017, 12:15 pm, EPFL, room MED 0 1418. Paramvir Ahlawat (EPFL, LCBC) gives a presentation on 'Molecular dynamics (MD) simulations of nucleation and crystal growth of lead halide perovskites' and Giovanni Pizzi (EPFL, THEOS) on 'Automating materials discovery using AiiDA: provenance concepts and some use cases'. The seminar is facilitated by Quang Van Nguyen .