Aleš Křenek

Masaryk University — Czech Republic

Computer Science · Physical Sciences

11h-index967citations112works0.92yr avg
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Research Topics

Distributed and Parallel Computing Systems(35), Scientific Computing and Data Management(30), Machine Learning in Materials Science(15), Advanced Data Storage Technologies(14), Parallel Computing and Optimization Techniques(12)

Publications112 total

MDFind: Federated search for molecular dynamics data
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
MDFind: Federated search for molecular dynamics data
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
MDDash – one stop shop for MD simulations
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
MDDash – one stop shop for MD simulations
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
GROMACS MetaDump: A tool to describe molecular dynamics simulations with powerful metadata
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
GROMACS MetaDump: A tool to describe molecular dynamics simulations with powerful metadata
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
EOSC Data Commons D6.1 Report on initial use cases deployment and dispatcher prototype
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
EOSC Data Commons D6.1 Report on initial use cases deployment and dispatcher prototype
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Gromacs MetaDump: a tool for extracting GROMACS simulation metadata
Journal of Cheminformatics·2025Open Access
SpecTUS: Spectral Translator for Unknown Structures annotation from EI-MS spectra
arXiv (Cornell University)·2025· 1 citedOpen Access
GenomeCruzer, a 3D Interactive Environment for Genomic Data Visualization and Analysis
2025Open Access
Analysis of metadynamics simulations by metadynminer.py
Bioinformatics·2024· 1 citedOpen Access
Quantum Chemistry-Based Prediction of Electron Ionization Mass Spectra for Environmental Chemicals
Analytical Chemistry·2024· 4 citedOpen Access
Quantum chemistry based prediction of electron ionization mass spectra for environmental chemicals
2024· 1 citedOpen Access
Quantum chemistry based prediction of electron ionization mass spectra for environmental chemicals
2024· 1 citedOpen Access
Acceleration of Molecular Simulations by Parametric Time-Lagged tSNE Metadynamics
The Journal of Physical Chemistry B·2024· 6 citedOpen Access
Onedata4Sci: Life science data management solution based on Onedata
arXiv (Cornell University)·2023· 3 citedOpen Access
Acceleration of Molecular Simulations by Parametric Time-Lagged tSNE Metadynamics
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
Acceleration of Molecular Simulations by Parametric Time-Lagged tSNE Metadynamics - 2
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
A survey of the European Open Science Cloud services for expanding the capacity and capabilities of multidisciplinary scientific applications
Computer Science Review·2023· 10 citedOpen Access
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Frequent Co-authors

Luděk Matyska(17), Miroslav Ruda(15), Jiří Sitera(13), Miloš Mulač(9), Zdeněk Salvet(9), Michal Voců(8), František Dvořák(8), Daniel Kouřil(7), F. Prelz(6), Tomáš Raček(6), Fabrizio Pacini(5), Radka Svobodová Vařeková(5), A. Gianelle(5), Jan Pospíšil(5), M. Sgaravatto(5), F. Giacomini(5), M. Mezzadri(5), Elisabetta Ronchieri(5), Giuseppe Avellino(5), Stefano Beco(5)