Philipp P. Hallmen

most citedPotential energy surface interpolation with neural networks for instanton rate calculations

29 citations · 53 across the 2 of their papers we have counts for

collaborators

2 papers

physics.chem-ph2020★ 24 cited

Vibrational analysis of methyl cation - rare gas atom complexes: CH $_{3}^{+}$ -Rg (Rg=He, Ne, Ar, Kr)

Jan Meisner, Philipp P. Hallmen, Johannes Kästner +1

The vibrational spectra of simple CH $_{3}^{+}$ -Rg (Rg=He, Ne, Ar, Kr) complexes have been studied by vibrational configuration interaction (VCI) theory relying on multidimensional pote…

physics.chem-ph2020★ 29 cited

Potential energy surface interpolation with neural networks for instanton rate calculations

April M. Cooper, Philipp P. Hallmen, Johannes Kästner

Artificial neural networks are used to fit a potential energy surface. We demonstrate the benefits of using not only energies, but also their first and second derivatives as traini…

Vibrational analysis of methyl cation - rare gas atom complexes: CH3+​-Rg (Rg=He, Ne, Ar, Kr)

Potential energy surface interpolation with neural networks for instanton rate calculations

Vibrational analysis of methyl cation - rare gas atom complexes: CH $_{3}^{+}$ -Rg (Rg=He, Ne, Ar, Kr)