About
Webinars are a new adventure for CECAM, we hope that you will enjoy experimenting with us on the possibilities offered by this tool to share exciting science with the community. This format offers an interesting opportunity to facilitate access to our activities for a broader community and, while our love of the informal and productive environment of face-to-face meetings is unchanged, we plan to explore its potential as a complementary tool to our workshops and schools. Keep an eye on this page if you are curious about our series and do not hesitate to contact us if you have suggestions or if you plan to submit a webinar proposal (alternative format) in this year CECAM Flagship call.
MDDB webinar series: “DynaRepo and beyond: Computational tools to decode dynamics and interactions in macromolecular complexes
27 May 2025 | 13:00-14:00 CEST
Yasaman Karami and Hamed Khakzad from Inria, University of Lorraine and Roy Gonzalez-Aleman, from LPCT, University of Lorraine, France
Join us on May 27 at 13:00 CEST to learn more about DynaRepo with Yasaman Karami, Hamed Khakzad and Roy Gonzalez-Aleman
MDDB webinar series: “The MemProtMD Database & MDDB”
27 March 2025 | 13:00-14:00 CET
Charlotte Lynch, University of Oxford & Phillip Stansfeld, University of Warwick, UK
The Molecular Dynamics Data Bank (MDDB) project is an European-scale repository for biosimulation data, which harnesses decades of cutting-edge computational resources to build a unified database that compiles and organises all data generated by molecular dynamics (MD) simulations. In this fourth instalment, Charlotte Lynch & Phillip Stansfeld will present the MemProtMD database, which includes more than 7000 molecular dynamics simulations of individual membrane proteins, with each protein having been embedded in a lipid bilayer.
MDDB webinar series: “The hexABC & MDDB”
27 February 2025 | 13:00-14:00 CET
Federica Battistini, IRB Barcelona, Spain
The Molecular Dynamics Data Bank (MDDB) project is an European-scale repository for biosimulation data, bringing together some of Europe’s leading institutions to transform the handling of molecular dynamics (MD) data and facilitate its sharing within the scientific community. In this webinar session, Federica Battistini from IRB Barcelona, will present the hexABC project, a DNA conformational study involving molecular dynamic simulations of 20-mer sequences over the sub-millisecond timescale and more of 200 TB of data.
MDDB webinar series: “High throughput molecular dynamics simulations from the LIGATE project”
23 January 2025 | 13:00-14:00 CET
Andrew Emerson, CINECA, Italy
The Molecular Dynamics Data Bank (MDDB) project is an European-scale repository for biosimulation data, bringing together some of Europe’s leading institutions to transform the handling of molecular dynamics (MD) data and facilitate its sharing within the scientific community. In this webinar session, Andrew Emerson will introduce the LIGATE project, which aims to create and validate a leading application solution for drug discovery in High Performance Computing (HPC) systems up to the exascale level.
112CO2 - CECAM Webinar: Methane splitting in Europe: how to promote swift and low-cost energy decarbonization?
24 October 2024 | 13:30 -15:30 CEST
Join us to explore how simulations can assist the microscopic understanding of a potentially key process for clean hydrogen production.
Zoom link: https://epfl.zoom.us/j/62170997282?pwd=8MDXSCwa2aRdqiAaqA5YAsUpRlnxpn.1
112CO2 - CECAM WEBINAR: Simulation assisted steps in research and technology in the hydrogen ecosystem
17 October 2024 | 13:30 -16:00 CEST
Join us to explore how simulations can assist the microscopic understanding of a potentially key process for clean hydrogen production.
Zoom link: https://epfl.zoom.us/s/67082631005
MultiXscale - CECAM webinar: Supporting the Development of Multiscale Methods via the European Environment for Scientific Software Installations (EESSI)
17 October 2024 | 09:00 -13:00 CEST
This webinar provides an introduction to EESSI and demonstrates how it supports the development of the key MultiXscale application codes—LAMMPS, waLBerla, and ESPResSo. Discover how EESSI accelerates scientific software installations and development, enabling cutting-edge research in multiscale modeling across various scientific domains. Perfect for researchers, developers, and engineers looking to enhance their software efficiency. This webinar is a joint effort between the CoE MultiXscale EuroHPC and CECAM.
Zoom link: https://epfl.zoom.us/s/63031772254
MDDB webinar series: “MDDB project and MDPosit: a prototype of distributed MD database”
17 May 2024 | 12:00-13:00 CEST
Modesto Orozco & Daniel Beltrán
The Molecular Dynamics Data Bank (MDDB) project is an European-scale repository for biosimulation data, bringing together some of Europe’s leading institutions to transform the handling of molecular dynamics (MD) data and facilitate its sharing within the scientific community. In this webinar session, Modesto Orozco and Daniel Beltrán will introduce the MDDB project and discuss their ongoing efforts to establish a distributed MD database, an approach where different research groups have their own local data repositories while contributing to a global database.
TREX - CECAM WEBINAR: Quantum Monte Carlo HPC Applications in Condensed Matter, Quantum Chemistry and Materials Science
25 January 2024 | 09:30 -12:00 CET
Join us for a deep dive into the cutting edge of quantum materials research and quantum chemistry at the upcoming webinar on "Quantum Monte Carlo HPC Applications in Condensed Matter, Quantum Chemistry, and Materials Science" on January 25, 2024, from 09:30 to 12:00 CET. The webinar is a collaborative effort between the Targeting Real Chemical Accuracy at the EXascale (TREX) project and CECAM (Centre Européen de Calcul Atomique et Moléculaire).
Lhumos training portal
Monday January 15th, 2pm CET
The novel e-learning platform Lhumos enters the material sciences realm to ease knowledge sharing and capacity building within the material sciences community and beyond.
Steven G. Louie - University of California at Berkeley and Lawrence Berkeley National Lab
Discovering Nature with Computation: HPC Study of Quantum Interaction Phenomena in Materials
Claudia Draxl - Humboldt-Universität and Fritz Haber Institute, Berlin
Detecting Materials Genes by High-performance Computing and Artificial Intelligence
Modesto Orozco - Institute for Research in Biomedicine, Barcelona
BioExcel Build Blocks and HPC. A test case in CoVID Research
Thursday July 16 2020
Edouard Audit - CEA - Maison de la Simulation
EoCoE : Fostering the energy transition using HPC
Gianluca Palermo - Politecnico di Milano
Exscalate4CoV: Towards an exascale-ready docking platform targeting urgent computing
Thursday July 9 2020
Cecilia Clementi - Freie Universität Berlin
Enabling software solutions to address outstanding science challenges in molecular sciences
Ignacio Pagonabarraga - CECAM
E-CAM: addressing modelling challenges in multiple scales in the HPC leading edge
Peter Coveney - University College London and University of Amsterdam
Supercomputing, COVID-19 and the Transformation of Medicine
Thursday July 2 2020
Erik Lindahl - Stockholm University
Simulating the Dynamics of Molecular Biology: Brick Walls, Achievements and Opportunities
Jesus Labarta - Barcelona Supercomputing Center
POP: towards insight on program behavior
Paul Kent - Oak Ridge National Laboratory
Towards Reliable and Accurate Materials Predictions at Exascale
Thursday June 25 2020
Nicola Marzari - EPFL
The great mysteries of computational science, and the marvelous opportunities
Claudia Filippi - University of Twente,
Anthony Scemama - University of Toulouse III
Targeting Real chemical accuracy at the EXascale
Giulia Galli - University of Chicago and Argonne National Laboratory
The long and winding road: predicting and designing material and molecular properties through computation
Thursday June 18 2020
Antonietta Mira - Università della Svizzera Italiana and Insubria University,
Andrea De Gaetano - National Council of Research of Italy
Modeling the pandemic is difficult: hopes and doubts about model building
Jean-Philip Piquemal - Sorbonne University
Modeling SARS-CoV-2 Proteins using Molecular Dynamics and Polarizable Force Fields
Tuesday May 12 2020
Andrea Cavalli - University of Bologna and IIT Genova
Current therapeutic options for CoVid-19: prediction of mechanism of action through atomistic simulations and machine learning
Modesto Orozco - Institute for Research in Biomedicine, Barcelona
HPC and BigData approaches in CoVid-19 research
Tuesday May 5 2020
Andrea Beccari - DOMPE Farmaceutici SPA
Exscalate4CoV, an introduction
Carmine Talarico - DOMPE Farmaceutici SPA
The computational Task in Exscalate4CoV
Giulia Rossetti - Forschungszentrum Julich and RWTH Aachen
Computational approaches to drug repurposing
Tuesday April 28 2020
