Roman Ellerbrock

6PUBLICATIONS
13CO-AUTHORS
Theoretical quantum chemistryData structures and algorithmsNumerical computation and mathematical softwareReaction kinetics and dynamics
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Publications (6)

|Jan 22, 2025
Tensor Train Optimization for Conformational Sampling of Organic Molecules.

Christopher Zurek, Ruslan A Mallaev, Alexander C Paul

|Jun 13, 2024
A non-hierarchical multi-layer multi-configurational time-dependent Hartree approach for quantum dynamics on general potential energy surfaces.

Roman Ellerbrock, Hannes Hoppe, Uwe Manthe

|Mar 18, 2024
QuTree: A tree tensor network package.

Roman Ellerbrock, K Grace Johnson, Stefan Seritan

|Jun 22, 2023
A numerically exact correlation discrete variable representation for multi-configurational time-dependent Hartree calculations.

Roman Ellerbrock, Hannes Hoppe, Uwe Manthe

|Mar 30, 2022
Vibrational control of the reaction pathway in the H + CHD3 → H2 + CD3 reaction.

Roman Ellerbrock, Bin Zhao, Uwe Manthe

|Sep 19, 2018
Natural reaction channels in H + CHD

Roman Ellerbrock, Uwe Mantheuwe

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Frequent Collaborators

5 joint publications

Uwe Mantheuwe

3 joint publications

Hannes Hoppe

1 joint publications

Bin Zhao

1 joint publications

K Grace Johnson