Computing the Molecular Universe (CoMolUn)

The DN 'Computing the Molecular Universe' (CoMolUn) will aim at investigating the role of molecular excitation processes in various astrophysical environments. Modern observatories allow scientists to view the 'Molecular Universe' in exquisite detail and study its evolution from natal molecular clouds to fully-formed stars, planets, and comets. Interpreting the wealth of observations requires detailed models, which in turn require as input accurate rate coefficients for all relevant molecular processes. The tremendous range of conditions probed make these rates difficult to measure in laboratory experiments so that theoretical computations play a key role through quantum molecular dynamics simulations. Such numerical calculations require a combination of different methods and take advantage of the most advanced computational techniques. CoMolUn will train a new generation of astrochemists with deep theoretical and computational skills enabling them to develop and apply new methods to tackle current and future challenges in European Astrophysics and Astrochemistry. The beneficiaries and associated partners will provide the Doctoral Candidates with fundamental training in technical skills including high performance computing, numerical models, and emerging topics such as machine learning and quantum computing that are rapidly developing and are expected to make deep societal impacts. The Doctoral Candidates will be also trained in transferable skills such as management, dissemination, communication, or gender diversity and open science, to prepare them for tomorrow’s society.

Keywords:Molecular collisions, Molecular astrophysics, Quantum Molecular dynamics, High Performance Computing

Disciplines:Astrochemistry, Molecular physics, Quantum chemistry