CompChem Observer

Conferences, workshops and schools in computational chemistry

Self-assembly of materials: merging direct experiments with simulations at different resolutions and data science techniques

Dates
Type
workshop
Format
in-person
Location
CECAM-FR-MOSER, Lausanne, Switzerland
Organiser
Romain Dupuis, C. Patrick Royall, Rocio Semino
Official page
https://www.cecam.org/workshop-details/self-assembly-of-materials-merging-direct-experiments-with-simulations-at-different-resolutions-and-data-science-techniques-1522
Dates from
https://www.cecam.org/workshop-details/self-assembly-of-materials-merging-direct-experiments-with-simulations-at-different-resolutions-and-data-science-techniques-1522
Topics
molecular-dynamicsenhanced-samplingmaterials-modelingml-chemistrysoft-matter

Workshop on the self-assembly of materials, focusing on bridging synthesis and modeling by merging direct experiments with multi-scale simulations and data science. It addresses the serendipitous nature of materials discovery and the lack of synthesis condition data. The event aims to summarize computational developments and discuss key challenges, including bridging simulations and experiments, tackling the multi-scale nature of self-assembly, and merging simulation with data science to understand molecular-level mechanisms of nucleation and phase transitions.


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