Centre Européen de Calcul Atomique et Moléculaire

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Upcoming events   

The outcome of the CECAM-Lorentz 2023 call is here!

Congratulations to Nuria López, Marc Koper, Hannes Jonsson, Max García-Melchor, and Giancarlo Cicero! Their proposed workshop on “Atomistic modelling of solid-liquid interfaces in electrocatalysis”  has been chosen as the 2023-2024 CECAM-Lorentz workshop via a competitive peer-reviewed selection. 

The workshop will take place in the Lorentz Center in the Netherlands, from January 8th to 12th 2024.

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Community   

CECAM & NCCR MARVEL support new ELLIS program on Machine Learning for Molecule Discovery

The European Laboratory for Learning and Intelligent Systems (ELLIS) network has approved a new program on Machine Learning for Molecule Discovery, which will be represented at EPFL by Prof. Michele Ceriotti, head of the School of Engineering’s Laboratory of Computational Science and Modelling, with the support of NCCR MARVEL and the Centre Européen de Calcul Atomique et Moléculaire (CECAM).

Workshops

NEXT: DEEP LEARNING IN MATERIALS SCIENCE: INTERPRETATION, GENERALIZATION, AND THE RISK OF OVERFITTING

Schools

NEXT: PICKING FLOWERS: HANDS-ON FLEU

Conferences

NEXT: The main purpose of this Psi-k/CECAM research conference is to to highlight the very recent theoretical and computational developments related to the interplay of spin-orbit interaction with electronic structure.

Events

Centre Européen de Calcul Atomique et Moléculaire

CECAM (Centre Européen de Calcul Atomique et Moléculaire) is an organization devoted to the promotion of fundamental research on advanced computational methods and to their application to important problems in frontier areas of science and technology. As the name suggests, the traditional focus of CECAM has been atomistic and molecular simulations, applied to the physics and chemistry of condensed matter. Over the last twenty years, powerful advances in computer hardware and software have supported the extension of these methods to a wide range of problems in materials science, biology and medicinal chemistry.

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Other activities

Mixed-Gen

A series of on-line talks and poster sessions on advanced topics in simulation and modelling and their applications for simulators young in years or at heart.

 

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From women’s eyes

Shoshana Wodak, Elisa Molinari, Carme Rovira, Paola Carbone & Chiara de Fabritiis

Friday February 10 2023

Online starting at 15:00 CET

 

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Berni J. Alder CECAM Prize 2022 award ceremony

Kurt Kremer
November 9, 2022

 

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Dynamical mean-field theory

Antoine Georges & Gabriel Kotliar

Thursday December 8 2022

Online starting at 15:00 CET

 

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Simulation methods for spin glasses with applications in optimization

Giorgio Parisi & Marc Mezard

Thursday November 3 2022

Online starting at 15:00 CET

 

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Fascination and industrial value of materials modeling

Erich Wimmer

Thursday May 5 2022

Starting at 15:00 CEST

 

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From women’s eyes

Ruth Lynden-Bell, Giulia Galli, Clemence Corminbeuf, Magali Benoit, Susanna Raule & Sara Menetti

Friday February 11 2022

Online starting at 15:00 CET

 

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Ab initio studies of electronic excitations using many-body perturbation theory

Rex Godby, Lucia Reining & Steven Louie

Tuesday January 18 2022

Online starting at 16:00 CET

 

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The importance of being H.P.C. Earnest

The power of simulation and modeling is intimately related to the available computational resources, to the community’s awareness of these resources, and to its proficiency in their optimal exploitation. In these weekly webinars we explore High Performanc

 

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Fluid phase equilibria by computer simulations

Athanassios Panagiotopoulos & Dominic Tildesley

Thursday December 9 2021

Online starting at 15:00 CET

 

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CECAM Highlights

Seminars, lectures and other events from our diverse activities will be uploaded weekly to keep us company during these challenging times.

 

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Programma 101, the little computer that could

Beniamino De’Liguori Carino, Foundation Adriano Olivetti
Pierpaolo Perotto, Finsa – Technology for people

Tuesday November 9 2021

 

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Free-energy of solids: origins and consequences of the 1983 CECAM workshop

Tony Ladd & Daan Frenkel
Interviewer Sara Bonella

Thursday May 20 2021

 

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Berry phases in condensed matter physics

David Vanderbilt & Raffaele Resta
Interviewer Nicola Marzari

Tuesday March 23 2021

 

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Computer modelling for industrial applications

Massimo Noro
Daresbury Laboratory, United Kingdom

Wednesday May 8 2019

 

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Molecular dynamics under (holonomic) constraints

Giovanni Ciccotti & Jean-Paul Ryckaert
Interviewer Sara Bonella

Lausanne, April 30 2019

 

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Almost famous a woman behind the codes

Mary Ann Mansigh Karlsen
Lawrence Livermore National Laboratory, USA

Wednesday November 15 2017

 

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Modeling Experiments in Simulations and Simulations in Experiments: Combining Biomolecular Simulations with Low-Resolution Measurements

Prof. Erik Lindahl
Stockholm University Sweden

Wednesday 23 November 2016

 

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Computational Molecular Design: Mathematical Theory, High Performance Computing, In Vivo Experiments

Prof. Christof Schütte
Free University of Berlin, Germany

Wednesday 25 May 2016

 

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Analysis and control of electron dynamics: An ab-initio perspective on the femto-second time scale

Prof. Eberhard Gross
Max Planck Institute of Microstructure Physics, Germany

Monday 28 September 2015

 

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Do we really need Quantum Computers to simulate Quantum Chemistry?

Prof. Ali Alavi
University of Cambridge, United Kingdom

Wednesday 22 Avril 2015

 

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