Silvan Kaser

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20212026

most citedMP2 Is Not Good Enough: Transfer Learning ML Models for Accurate VPT2 Frequencies

2 citations · 3 across the 6 of their papers we have counts for

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physics.chem-ph2025

End-to-End Photodissociation Dynamics of Energized H $_{2}$ COO

Cangtao Yin, Silvan Käser, Meenu Upadhyay +1

The end-to-end dynamics of the smallest energized Criegee intermediate, H $_{2}$ COO, was characterized for vibrational excitation close to and a few kcal/mol above the barrier for hyd…

physics.chem-ph2025

Towards Large-Scale Condensed Phase Simulations using Machine Learned Energy Functions

Eric D. Boittier, Silvan Käser, Markus Meuwly

Accurate, yet computationally efficient energy functions are essential for state-of-the art molecular dynamics (MD) studies of condensed phase systems. Here, a generic workflow bas…

physics.chem-ph2025

Reaction Dynamics of the H + HeH $^{+}$ $\to$ He + H $_{2}^{+}$ System

Meenu Upadhyay, Silvan Käser, Jayakrushna Sahoo +2

The reaction dynamics for the H + HeH $^{+}$ $\to$ He + H $_{2}^{+}$ reaction in its electronic ground state is investigated using two different representations of the potential en…

End-to-End Photodissociation Dynamics of Energized H2​COO

Towards Large-Scale Condensed Phase Simulations using Machine Learned Energy Functions

Reaction Dynamics of the H + HeH+ → He + H2+​ System

End-to-End Photodissociation Dynamics of Energized H $_{2}$ COO

Reaction Dynamics of the H + HeH $^{+}$ $\to$ He + H $_{2}^{+}$ System