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You are here: Home / Agenda / Events

Events

from Jun 01, 2020 12:00 AM to Dec 31, 2020 12:00 AM Informations - Appel à projet 2020

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from Feb 20, 2020 09:00 AM to Feb 21, 2020 05:00 PM ESDW: Topics in Classical MD (Session 2)

Classical molecular dynamics (MD) is a broad field, with many domains of expertise. Those specialist domains include topics like transition path sampling (which harvests many examples of a process in order to study it at a statistical level), metadynamics (which runs a trajectory with modified dynamics that enhance sampling, and from which free energy profiles can be constructed), as well as various topics focused on the underlying dynamics, either by providing better representations of the interactions between atoms (e.g., force fields or neural network potentials) or by changing the way the dynamics are performed (e.g., integrators).

Site ENS Monod

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Nov 13, 2019 from 10:00 AM to 06:00 PM 4D Genome computation day

The spatial folding of genomic DNA plays a crucial role in the regulation of genome activity. However, the biological mechanisms and the physical principles behind that “Stucture/Function” coupling remain largely elusive due to the lack of real quantitave frameworks as well as controlled experiments. The field of “3D genomics” specifically address these questions and is a booming field of research: recent advances in genome-wide mapping and imaging techniques have indeed strikingly improved the resolution at which nuclear genome folding can be analyzed.

Salle 117 - Site ENS Monod

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from Jun 17, 2019 09:00 AM to Jun 21, 2019 06:00 PM Recent developments in quantum dynamics, an E-CAM state-of-the-art workshop

The proposed workshop will gather a broad community of researchers in the field of quantum dynamics, who are actively investigating the interplay of electronic and nuclear correlation in problems spanning multiple length and time scales, and who are seeking to develop and apply state-of-the-art (SOA) methodologies to systems of increasing complexity.

Amphithéatre A - Ecole Normale Supérieure de Lyon (Site Monod)

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from May 02, 2019 09:00 AM to May 04, 2019 06:00 PM Network analysis to elucidate natural system dynamics, diversity and performance

Omics-Data has brought into light the fact that nothing is unique in living systems. Whatever the scales, the building blocks of life are based on diversity and whatever collective acts they orchestrate, they use many alternative approaches. The diversity lies at the level of individual elements and at the level of their connectivity: • Chemical information: gene sequences, protein sequences (sequence variants) • Shape information: cellular morphologies, protein structures, RNAs, DNAs • Functional dynamics: Molecular dynamics, interactions and thermodynamics • Collective acts: signaling pathways, metabolisms, protein folding, allostery

Salle 117 (1er étage - site Monod) - Ecole Normale Supérieure de Lyon

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from Apr 03, 2019 09:00 AM to Apr 12, 2019 06:00 PM ESDW: Topics in Classical MD

Classical molecular dynamics (MD) is a broad field, with many domains of expertise. Those specialist domains include topics like transition path sampling (which harvests many examples of a process in order to study it at a statistical level), metadynamics (which runs a trajectory with modified dynamics that enhance sampling, and from which free energy profiles can be constructed), as well as various topics focused on the underlying dynamics, either by providing better representations of the interactions between atoms (e.g., force fields or neural network potentials) or by changing the way the dynamics are performed (e.g., integrators).

Salle de TP CBP - Ecole Normale Supérieure de Lyon (Site Monod)

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from Apr 03, 2019 08:30 AM to Apr 05, 2019 06:30 PM Current Challenges in transport, growth and dissolution at mineral-fluid interfaces

Mineral-water interfaces, and, specifically, carbonate minerals, are relevant in a wide range of problems in natural sciences (geophysics, geochemistry) and Society (medicine, and climate change). Carbonate-water interfaces play a key role in many physical and chemical processes: biomineralization, weathering and soil formation, carbon sequestration, scale formation, and ore mineral deposition. The investigation of these processes involves a wide range of scales, from nm to macroscopic. The advent of a new body of simulations tools,e.g. ab initio Molecular Dynamics, Monte Carlo, Lattice Boltzmann and rare event sampling techniques, has enabled the modelling of nano- and upscale processes at fluid-solid interfaces, the study of nanoparticles and complex macro-molecules and the investigation of nucleation phenomena.

Amphithéatre Biologie - Ecole Normale Supérieure de Lyon (Site Monod)

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from Dec 03, 2018 09:00 AM to Dec 05, 2018 05:30 PM Modeling metal-based nanoparticles: environment and dynamical effects

Since the 1980s and the early works on metal clusters, research on metal-based nanoparticles has shown impressive advances both experimentally and theoretically. From the computational perspective, the potential applications in various fields and the unprecedented level of details reached by modern microscopy and spectroscopy techniques have motivated progress along various directions aiming to improve predictability of the calculations and expanding their transferability toward realistic environments.

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from Jul 09, 2018 09:00 AM to Jul 12, 2018 05:30 PM Nanofluidics in physics and biology

Flows of molecules at the nanometers scale play an important role in many biological, chemical and physical systems and have important applications in the near future.

Ecole Normale Supérieure de Lyon

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Jun 26, 2018 from 09:00 AM to 06:00 PM LAMMPS for molecular dynamics simulations : from development to applications

LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is a free software (GPL) to perform atomistic, mesoscale or coarse-grain simulations. It has become one of the most used calculation codes in the field of large-scale molecular dynamics on HPC platforms, such as the PSMN mesocenter at ENS Lyon. LAMMPS is materials oriented with a wide range of interatomic potentials (including many-body and coarse-grain), many coarse-grained models for mesoscale to continuum and a variety of boundary conditions and constraints. It is scalable for large simulations (1000s of particles/processor), easy to modify or extend with new features.

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from Jun 11, 2018 09:00 AM to Jun 13, 2018 06:00 PM Hot Colloids

The aim of this workshop is to bring together scientists who work on optically heated colloidal nanoparticles for different purpose, and who belong to different communities, thermal sciences, soft matter/statistical physics and nano-optics. These researchers do no not have the opportunity to meet, as there is no conference organized on the subject. The field is clearly interdisciplinary, and we want to break the frontiers between the above mentionned communities. We think that only breaking the frontiers will help in identifying possible advances in the field. A three days workshop is well designed for this purpose.

Organisers
- Samy Merabia (University of Lyon I, France)
- Thierry Biben (Université Lyon 1, France)
- Pietro Asinari (Politecnico di Torino, Italy)
ENS de Lyon - Descartes campus - room D2 128

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from May 27, 2018 08:00 AM to Jun 01, 2018 06:00 PM Les Houches – TSRC Protein Dynamics Workshop

Proteins are the molecular engines of life. Their broad range of biological tasks and functions is reflected in the large diversity of specific structural and dynamical characteristics they display. Whereas a large body of structural information has been gathered over the past decades, dynamical insight is still scarce. Yet, only an understanding of the structural dynamics, i.e. of the relation between structure and dynamics, will unravel the complex mysteries of biomolecular function and its various roles in cellular processes. Understanding structural dynamics of biomolecules is a prerequisite for successfully designing new drugs against existing and emerging diseases.

Organisers
- Paul Schanda (Institut de Biologie Structurale , France)
- Martin WEIK (CEA, France)
- Matthias Heyden (Max-Planck-Institut für Kohlenforschung, Germany)
- James Fraser (UCSF, USA)
Ecole de Physique des Houches, France

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May 14, 2018 from 09:00 AM to 06:00 PM E-CAM Scoping Workshop. Solubility prediction

E-CAM is a H2020 project that aims to create, develop and sustain a European infrastructure for computational science applied to simulation and modelling of materials and of biologicalprocesses of industrial and societal interest. Building on the already significant network of 15 CECAM centres across Europe and the PRACE initiative, E-CAM creates a distributed centre for simulation and modelling across the electronic, molecular and continuum length scales. The center builds on the considerable European expertise and capability in this area of significant industrial and scientific relevance. The objective is to make a very strong impact on the European economy through the development of a key industrial capability in the rapidly developing area of technological innovation through computer modelling.

Organisers:
- Carine Michel (CNRS, Ecole Normale Supérieure de Lyon, France)
- Daan Frenkel (University of Cambridge, United Kingdom)
- Eduardo Sanz (Physical Chemistry Department, Chemistry Faculty, University Complutense of Madrid, Spain)
CECAM-FR-RA, Ecole normale supérieure de Lyon, France

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Feb 09, 2018 from 09:00 AM to 05:30 PM CP2K for atomic and molecular simulations : from development to applications

1 Place Ecole, Site Monod, ENS de Lyon

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from Dec 24, 2017 09:00 AM to Dec 31, 2017 05:00 PM French nodes annual meeting

Crowne Plaza Toulouse

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from Oct 09, 2017 09:00 AM to Oct 13, 2017 05:00 PM Ecole Thematique du CNRS en modelisation physico-chimique

Organisée par Florent Calvo

CBP, ENS de Lyon

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from Sep 11, 2017 09:00 AM to Sep 15, 2017 05:00 PM Multiscale modelling of organic semiconductors: from elementary processes to devices

Organized by Thierry Deutsch

Bâtiment IMAG Université Grenoble Alpes 700, avenue centrale 38401 Saint Martin d'Hères

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from Jul 10, 2017 09:00 AM to Jul 12, 2017 07:00 PM SCOW4: Industrial Partnership

The present event is the 4th E-CAM scoping workshop.

CBP, ENS de Lyon

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from Jun 26, 2017 09:00 AM to Jul 07, 2017 07:00 PM ASTROSIM Ecole astrophysique numérique

Organized by Rolf Walder

Amphithéâtre Mérieux ENS de Lyon, Place de l’École, 69007 Lyon

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from Jun 26, 2017 09:00 AM to Jun 29, 2017 05:00 PM Challenges in reaction dynamics of gas-surface interactions and methodological advances in dissipative and non-adiabatic processes

The role of dissipation in surface chemistry is central to a challenging and important area of current research.

CECAM-FR-GSO

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from Jun 21, 2017 09:00 AM to Jun 23, 2017 07:00 PM Rheology on gel networks: combining experimental, computational and theoretical insights

The idea of this workshop is to bring together international experts in the field of the dynamics of gel networks, to discuss recent progress and insight from computational, theoretical and experimental approaches. This field is very young especially concerning modeling aspects, due to the computational challenges related to the complex molecular structures which are crucial, in many cases, for relaxation dynamics and mechanical responses on large scales.

CBP, ENS de Lyon

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from Jun 06, 2017 09:00 AM to Jun 09, 2017 05:00 PM The future of biomembrane simulations: hidden pitfalls and future challenges

Having focused on simple model systems for two decades, molecular simulations of lipid membranes have recently started exploring more complex compositions and geometries, in an attempt to better account for the immense complexity of biological systems. What challenges lie ahead for molecular simulations of biological membranes? Which problems need to be solved during the next decade to make progress in this field? These questions are the focus of the CECAM workshop we are organizing.

CBP, ENS de Lyon

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from Jun 06, 2017 09:00 AM to Jun 09, 2017 05:00 PM Seeking synergy between dynamics and statistics for non-equilibrium quantum processes

The need to develop accurate theoretical descriptions of non-equilibrium processes in quantum mechanical systems is a goal that unifies a diverse set of fields ranging from physics, chemistry, and mathematics, to biology and materials science.

CECAM-FR-MOSER

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from May 22, 2017 09:00 AM to May 24, 2017 05:00 PM Theoretical Chemistry for Extended Systems: systematically improvable electronic structure methods

Recent years have seen much progress both in Wave-Function (WFT) based and Quantum Monte Carlo (QMC) methods to treat very large or periodic systems.

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from Apr 18, 2017 09:00 AM to Apr 21, 2017 05:00 PM Exploiting finite-size effects in simulations

Finite size effects are ubiquitous in simulations.

CECAM-FR-MOSER

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from Apr 02, 2017 09:00 AM to Apr 07, 2017 07:00 PM Multiscale Modeling and Experimental Approaches to Genome Organization

Much progress has been and continues to be made in our understanding of chromatin organization on the disparate length scales mentioned above. We seek to address two challenges:(i) the bridging between modeling and experimentation on the nucleosome and fiber levels with genome studies on the kilo-base level and (ii) the systematic linking of models describing (parts of) the chromatin fiber on different scales.

Les Houches, France

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