JDN Topics
Magnetism - Soft Matter - Biology - Materials - Instrumentation -
Special Sessions
Molecular Modeling - Optical and Neutron Spectroscopies - Diffraction at ESS
April 30th, 2022
Registration to the SFN PhD Award

September 26th, 2022
Abstract submission (talks & posters)

October 15th, 2022
Conference registration

Past conferences
2021 2020 2019 2018 2017 2016
Molecular Modeling Session
A few words about molecular modeling....

Over the last decades, investigations combining neutron scattering and molecular modeling have known a considerable expansion in various research areas, ranging from material sciences to magnetism to soft matter and biology.
This session will be dedicated to the latest results obtained in the understanding of structural and dynamics properties, through the help of state-of-the-art molecular modeling methods (Monte-Carlo, molecular dynamics, classical mechanics, quantum mechanics, linear scaling, etc.), allowing one to treat, not only molecular clusters, but also large-scale systems, thanks to the development of High-Performance Computing (HPC) centers.

This session will welcome invited talks and a series of oral communications. A poster session will also take place.
The invited speakers are:
  • Daniel Sanchez-Portal (CFM - DIPC, Univ. San Sebastian, Spain)
    Linear scaling Molecular Modelling - TBA
  • Jean-Marc Leyssale (ISM, Univ. Bordeaux, France)
    Atomistic simulation of disordered carbons: from structure to properties
This session is organized with the support of the Laboratory for Trans-border Cooperation in physical-chemistry, which promotes research collaborations in the frame of the Campus Euskampus-Bordeaux.
This laboratory was created to provide an institutional framework for research teams from the Basque country and from Bordeaux to work together. This framework supports trans-border research communities, which involve young and senior researchers, students, and technicians who can move from one lab to the other without boundaries and share a common vision and action agendas.

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