51 citations · 98 across the 4 of their papers we have counts for
4 papers
Mimyria: Machine learned vibrational spectroscopy for aqueous systems made simple
Philipp Schienbein
Vibrational spectroscopy provides a powerful connection between molecular dynamics (MD) simulations and experiment, but its routine use in condensed-phase systems remains limited.…
Probing the Temporal Response of Liquid Water to a THz Pump Pulse Using Machine Learning-Accelerated Non-Equilibrium Molecular Dynamics
Kit Joll, Philipp Schienbein
Ultrafast, time-resolved spectroscopies enable the direct observation of non-equilibrium processes in condensed-phase systems and have revealed key insights into energy transport,…
Molecular dynamics simulation with finite electric fields using Perturbed Neural Network Potentials
Kit Joll, Philipp Schienbein, Kevin M. Rosso +1
The interaction of condensed phase systems with external electric fields is crucial in myriad processes in nature and technology ranging from the field-directed motion of cells (ga…
Spectroscopy from Machine Learning by Accurately Representing the Atomic Polar Tensor
Philipp Schienbein
Vibrational spectroscopy is a key technique to elucidate microscopic structure and dynamics. Without the aid of theoretical approaches, it is however, often difficult to understand…