Dimensionality reduction techniques for molecular dynamics

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Dimensionality reduction techniques for molecular dynamics

 02 - 06 Jun 2025

ICMS, Bayes Centre, Edinburgh

Scientific organisers

  • Lucie Delemotte , KTH Royal Institute of Technology
  • Andrew Ferguson , University of Chicago
  • Stefan Klus , Heriot-Watt University
  • Benedict Leimkuhler , University of Edinburgh
  • Edina Rosta, University College London
  • Gabriel Stoltz, Ecole des Ponts

About:

The focus of the proposed workshop is the mathematical analysis of models used to learn low-dimensional em-beddings and dynamical projections of molecular dynamical systems. The workshop will convene mathematicians, statisticians, theoretical chemists, and biophysicists to discuss theoretical and numerical techniques, to define open challenges and pressing needs in the field, and to establish new disciplinary bridges and collaboration opportunities. Although primarily mathematical in nature, the history of this field has taught us that the most challenging questions can only be tackled by a synthesis of interdisciplinary methods and tools. The workshop will promote participation of early-career and female researchers. Successful outcomes of the workshop will include a freely available online workshop report and the establishment of new collaborations,
and the definition of set of open questions to guide future work in the field.

Information on particpation to follow in due course.