Panagiotis Krokidas

National Centre of Scientific Research "Demokritos" — Greece

Chemistry · Physical Sciences

14h-index773citations38works1.62yr avg
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Research Topics

Metal-Organic Frameworks: Synthesis and Applications(17), Membrane Separation and Gas Transport(12), Zeolite Catalysis and Synthesis(6), Carbon Dioxide Capture Technologies(6), Machine Learning in Materials Science(6)

Publications38 total

A Physics Constrained Machine Learning Pipeline for Young's Modulus Prediction in Multimaterial Hyperelastic Cylinders Guided by Contact Mechanics
Advanced Intelligent Discovery·2025· 1 citedOpen Access
White paper #1: HPC-Cloud and Quantum Computing: State of the Art and Innovation Roadmap
Zenodo (CERN European Organization for Nuclear Research)·2025Open Access
White paper #1: HPC-Cloud and Quantum Computing: State of the Art and Innovation Roadmap
Zenodo (CERN European Organization for Nuclear Research)·2025Open Access
Molecular Simulation of Hydrogen Systems: From Properties and Methods to Applications and Future Directions
Chemical Reviews·2025· 2 citedOpen Access
Navigating materials design spaces with efficient Bayesian optimization: a case study in functionalized nanoporous materials
Digital Discovery·2025Open Access
Density-aware active learning for materials discovery: a case study on functionalized nanoporous materials
Physical Chemistry Chemical Physics·2025Open Access
A catalyst for European cloud services in the era of data spaces, high-performance and edge computing: NOUS
2024· 3 citedOpen Access
Multi-fidelity Bayesian Optimization for Efficiently Sampling the Design Space of Functionalized Nanoporous Materials
2024· 2 cited
Inverse design of ZIFs through artificial intelligence methods
Physical Chemistry Chemical Physics·2024· 6 citedOpen Access
Inverse Design of ZIFs through Artificial Intelligence Methods
2023· 2 citedOpen Access
Nanoengineered ZIF fillers for mixed matrix membranes with enhanced CO2/CH4 selectivity
Separation and Purification Technology·2022· 22 cited
Dataset of simulations of SmartDeZIgn
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
Dataset of simulations of SmartDeZIgn
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
Dataset and structure database for an ML model to predict diffusivity in ZIF variants
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
Dataset and structure database for an ML model to predict diffusivity in ZIF variants
2022Open Access
Dataset for an ML model to predict diffusivity in ZIF variants
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
various ZIF modifications and diffusivities of various gases
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
various ZIF modifications and diffusivities of various gases
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
various ZIF modifications and diffusivities of various gases
2022Open Access
Data mining for predicting gas diffusivity in zeolitic-imidazolate frameworks (ZIFs)
Journal of Materials Chemistry A·2022· 25 citedOpen Access
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Frequent Co-authors

Ioannis G. Economou(15), Salvador Moncho(10), Edward N. Brothers(10), George Giannakopoulos(7), Marcelo Castier(6), Hae‐Kwon Jeong(4), Theodore Steriotis(4), Christoforos Rekatsinas(4), Amro M.O. Mohamed(3), M.E. Kainourgiakis(3), Vladimiros Nikolakis(3), Vasilis N. Burganos(3), Panagiotis Dimitrakis(3), Vassilis Gkatsis(3), Ocean Cheung(2), Zoltán Bacsik(2), Niklas Hedin(2), Febrian Hillman(2), Mohamad Rezi Abdul Hamid(2), Eugene D. Skouras(2)