Oliver T Unke

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2015-2019 Chemistry University of Basel, Basel, Basel-Stadt, Switzerland 
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"Oliver Unke"
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Käser S, Unke OT, Meuwly M. (2020) Isomerization and decomposition reactions of acetaldehyde relevant to atmospheric processes from dynamics simulations on neural network-based potential energy surfaces. The Journal of Chemical Physics. 152: 214304
Sweeny BC, Pan H, Kassem A, et al. (2020) Thermal activation of methane by MgO: temperature dependent kinetics, reactive molecular dynamics simulations and statistical modeling. Physical Chemistry Chemical Physics : Pccp
Rivero U, Unke OT, Meuwly M, et al. (2019) Reactive atomistic simulations of Diels-Alder reactions: The importance of molecular rotations. The Journal of Chemical Physics. 151: 104301
Koner D, Unke OT, Boe K, et al. (2019) Exhaustive state-to-state cross sections for reactive molecular collisions from importance sampling simulation and a neural network representation. The Journal of Chemical Physics. 150: 211101
Unke OT, Meuwly M. (2019) PhysNet: A Neural Network for Predicting Energies, Forces, Dipole Moments and Partial Charges. Journal of Chemical Theory and Computation
Unke OT, Brickel S, Meuwly M. (2019) Sampling reactive regions in phase space by following the minimum dynamic path. The Journal of Chemical Physics. 150: 074107
Unke OT, Meuwly M. (2018) A reactive, scalable, and transferable model for molecular energies from a neural network approach based on local information. The Journal of Chemical Physics. 148: 241708
Pezzella M, Unke OT, Meuwly M. (2018) Molecular Oxygen Formation in Interstellar Ices Does Not Require Tunneling. The Journal of Physical Chemistry Letters. 1822-1826
Bircher MP, Liberatore E, Browning NJ, et al. (2017) Nonadiabatic effects in electronic and nuclear dynamics. Structural Dynamics (Melville, N.Y.). 4: 061510
Unke OT, Devereux M, Meuwly M. (2017) Minimal distributed charges: Multipolar quality at the cost of point charge electrostatics. The Journal of Chemical Physics. 147: 161712
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