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Daniel Sebastiani

5PUBLICATIONS

3CO-AUTHORS

Reaction kinetics and dynamicsQuantum computationAtomic and molecular physicsMetal cluster chemistry

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Publications (5)

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|May 03, 2020

Exploring non-equilibrium molecular dynamics of mobile protons in the solid acid CsH<sub>2</sub>PO<sub>4</sub> at the micrometer and microsecond scale.

Christian Dreßler, Gabriel Kabbe, Martin Brehm

|Mar 23, 2020

Dynamical matrix propagator scheme for large-scale proton dynamics simulations.

Christian Dreßler, Gabriel Kabbe, Martin Brehm

|Feb 17, 2020

Optimized effective potentials to increase the accuracy of approximate proton transfer energy calculations in the excited state.

Pouya Partovi-Azar, Daniel Sebastiani

|Oct 12, 2018

Simulating structure and dynamics in small droplets of 1-ethyl-3-methylimidazolium acetate.

Martin Brehm, Daniel Sebastiani

|Nov 23, 2017

Tunneling of coupled methyl quantum rotors in 4-methylpyridine: Single rotor potential versus coupling interaction.

Somayeh Khazaei, Daniel Sebastiani

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Frequent Collaborators

3 joint publications

Martin Brehm

1 joint publications

Pouya Partovi-Azar

1 joint publications

Christian Dreßler

Frequent Collaborators

3 joint publications

Martin Brehm

1 joint publications

Pouya Partovi-Azar

1 joint publications

Christian Dreßler

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