Tobias Morawietz
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Explore the profile of Tobias Morawietz including associated specialties, affiliations and a list of published articles.
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21
Citations
215
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Recent Articles
1.
Heyndrickx W, Mervin L, Morawietz T, Sturm N, Friedrich L, Zalewski A, et al.
J Chem Inf Model
. 2023 Aug;
64(7):2331-2344.
PMID: 37642660
Federated multipartner machine learning has been touted as an appealing and efficient method to increase the effective training data volume and thereby the predictivity of models, particularly when the generation...
2.
Atsango A, Morawietz T, Marsalek O, Markland T
J Chem Phys
. 2023 Aug;
159(7).
PMID: 37581418
The transport of excess protons and hydroxide ions in water underlies numerous important chemical and biological processes. Accurately simulating the associated transport mechanisms ideally requires utilizing ab initio molecular dynamics...
3.
Hacker J, Rommel T, Lange P, Zhao-Karger Z, Morawietz T, Biswas I, et al.
ACS Appl Mater Interfaces
. 2023 Jun;
15(27):33013-33027.
PMID: 37389477
In the search for post-lithium battery systems, magnesium-sulfur batteries have attracted research attention in recent years due to their high potential energy density, raw material abundance, and low cost. Despite...
4.
Xu Z, Delgado S, Atanasov V, Morawietz T, Gago A, Friedrich K
Membranes (Basel)
. 2023 Mar;
13(3).
PMID: 36984715
Anion exchange membranes (AEM) are core components for alkaline electrochemical energy technologies, such as water electrolysis and fuel cells. They are regarded as promising alternatives for proton exchange membranes (PEM)...
5.
Montoya-Castillo A, Chen M, Raj S, Jung K, Kjaer K, Morawietz T, et al.
Phys Rev Lett
. 2022 Aug;
129(5):056001.
PMID: 35960558
Time-resolved scattering experiments enable imaging of materials at the molecular scale with femtosecond time resolution. However, in disordered media they provide access to just one radial dimension thus limiting the...
6.
Kellenberger A, Vaszilcsin N, Duca D, Dan M, Duteanu N, Stiber S, et al.
Materials (Basel)
. 2022 Mar;
15(5).
PMID: 35268859
For proton exchange membrane water electrolysis (PEMWE) to become competitive, the cost of stack components, such as bipolar plates (BPP), needs to be reduced. This can be achieved by using...
7.
Humbeck L, Morawietz T, Sturm N, Zalewski A, Harnqvist S, Heyndrickx W, et al.
Molecules
. 2021 Nov;
26(22).
PMID: 34834051
Machine learning models predicting the bioactivity of chemical compounds belong nowadays to the standard tools of cheminformaticians and computational medicinal chemists. Multi-task and federated learning are promising machine learning approaches...
8.
Chen M, Morawietz T, Mori H, Markland T, Artrith N
J Chem Phys
. 2021 Aug;
155(7):074801.
PMID: 34418919
Machine-learning potentials (MLPs) trained on data from quantum-mechanics based first-principles methods can approach the accuracy of the reference method at a fraction of the computational cost. To facilitate efficient MLP-based...
9.
Morawietz T, Artrith N
J Comput Aided Mol Des
. 2020 Oct;
35(4):557-586.
PMID: 33034008
Atomistic simulations have become an invaluable tool for industrial applications ranging from the optimization of protein-ligand interactions for drug discovery to the design of new materials for energy applications. Here...
10.
Chen M, Zuehlsdorff T, Morawietz T, Isborn C, Markland T
J Phys Chem Lett
. 2020 Aug;
11(18):7559-7568.
PMID: 32808797
The excited-state dynamics of chromophores in complex environments determine a range of vital biological and energy capture processes. Time-resolved, multidimensional optical spectroscopies provide a key tool to investigate these processes....