Gunnar Schmitz

Ruhr-Universität Bochum

Germany

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Articles (7)

Year:

2023

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2022

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2021

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2020

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2020

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2020

Year:

2020

Collaborators (7)

Christoph van Wüllen

Professor (W3)

RPTU Kaiserslautern-Landau

GERMANY

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Jakub Kubečka

Aarhus University

DENMARK

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Andreas Buchgraitz Jensen

Aarhus University

DENMARK

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Jason M. Yu

UNITED STATES

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Ove Christiansen

Professor

Aarhus University

DENMARK

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Shane Parker

Assistant Professor

Case Western Reserve University

UNITED STATES

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Enrico Tapavicza

California State University, Long Beach

UNITED STATES

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Gunnar Schmitz

Research Interests

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Articles (7)

Gaussian process regression adaptive density-guided approach: Toward calculations of potential energy surfaces for larger molecules

Massive Assessment of the Binding Energies of Atmospheric Molecular Clusters

An automatized workflow from molecular dynamic simulation to quantum chemical methods to identify elementary reactions and compute reaction constants

TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

Can Small Polyaromatics Describe Their Larger Counterparts for Local Reactions? A Computational Study on the H-Abstraction Reaction by an H-Atom from Polyaromatics

A Gaussian process regression adaptive density guided approach for potential energy surface construction

Assessment of the DLPNO Binding Energies of Strongly Noncovalent Bonded Atmospheric Molecular Clusters

Collaborators (7)

Christoph van Wüllen

Jakub Kubečka

Andreas Buchgraitz Jensen

Jason M. Yu

Ove Christiansen

Shane Parker

Enrico Tapavicza

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