Thomas Gruber

University of Regensburg — Germany

Computer Science · Physical Sciences

30h-index26.1kcitations156works0.32yr avg
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Research Topics

Semantic Web and Ontologies(27), Crystallization and Solubility Studies(26), X-ray Diffraction in Crystallography(26), AI-based Problem Solving and Planning(17), Crystallography and molecular interactions(11)

Publications156 total

Salicylic alcohol content in the leaves of different Salix species and individuals: impact on pharmaceutical potential
Phytochemistry Letters·2025
A deep learning approach to real-time Markov modeling of ion channel gating
Communications Chemistry·2024· 1 citedOpen Access
Alya towards Exascale: Optimal OpenACC Performance of the Navier-Stokes Finite Element Assembly on GPUs
2024· 1 cited
Little change, deep impact: solvents and their fundamental influence on crystal formation
Figshare·2024Open Access
Autonomy Loops for Monitoring, Operational Data Analytics, Feedback, and Response in HPC Operations
arXiv (Cornell University)·2024Open Access
Alya towards Exascale: Optimal OpenACC Performance of the Navier-Stokes Finite Element Assembly on GPUs
arXiv (Cornell University)·2024Open Access
CloverLeaf on Intel Multi-Core CPUs: A Case Study in Write-Allocate Evasion
arXiv (Cornell University)·2023Open Access
Comparison of phenolic composition of ten Salix species
Planta Medica·2023
Autonomy Loops for Monitoring, Operational Data Analytics, Feedback, and Response in HPC Operations
2023· 3 citedOpen Access
Two-Step Approach in Metadata Management for Data Publications at Research Centers
Proceedings of the Conference on Research Data Infrastructure·2023Open Access
Overarching Data Management Ecosystem at HZDR
Proceedings of the Conference on Research Data Infrastructure·2023Open Access
2D-dwell-time analysis with simulations of ion-channel gating using high-performance computing
Biophysical Journal·2023· 3 citedOpen Access
Two-Dimensional-Dwell-Time Analysis of Ion Channel Gating using High Performance Computing Clusters
2022Open Access
CCDC 2109522: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
An organophotocatalytic late-stage N–CH <sub>3</sub> oxidation of trialkylamines to <i>N</i> -formamides with O <sub>2</sub> in continuous flow
Chemical Science·2021· 44 citedOpen Access
Organophotocatalytic Late-stage N-CH3 Oxidation of Trialkylamines with O2 in Continuous Flow
2021Open Access
Organophotocatalytic Late-stage N-CH3 Oxidation of Trialkylamines with O2 in Continuous Flow
2021· 1 citedOpen Access
HPCMASPA 2021 Conference Organization
2021Open Access
Execution‐Cache‐Memory modeling and performance tuning of sparse matrix‐vector multiplication and Lattice quantum chromodynamics on A64FX
Concurrency and Computation Practice and Experience·2021· 22 citedOpen Access
ECM modeling and performance tuning of SpMV and Lattice QCD on A64FX
arXiv (Cornell University)·2021· 8 citedOpen Access
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Frequent Co-authors

Jay M. Tenenbaum(5), Gregory R. Olsen(5), Jens Kortus(5), Robert Scharler(5), Jay C. Weber(4), Ingwald Obernberger(4), Mark R. Cutkosky(3), Jürgen Seidel(3), Florian Mertens(3), Joachim Kelz(3), Christoph Hochenauer(3), Andrés Anca‐Couce(3), Gerhard Wellein(3), Richard Fikes(2), Andreas Keil(2), Matthias Müller(2), Adam Farquhar(2), Daniel A. Thomas(2), Regina Hüttl(2), Patrice O. Gautier(2)