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MiMiC: A high-performance framework for multiscale molecular dynamics simulations2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access
Andrej Antalík, Andrea Levy, Sonata Kvedaravičiūtė, Sophia K. Johnson, David Carrasco‐Busturia, Bharath Raghavan, +10 more
12citations -
Continuous vs pulsatile arterial cannula flow for venoarterial extracorporeal membrane oxygenation: A multiscale computational fluid dynamics analysis2026 Computer Methods and Programs in Biomedicine article Engineering Mechanical Circulatory Support Devices Open access
Avishka Wickramarachchi, Michael Neidlin, Mehrdad Khamooshi, Jessica Benitez Mendieta, Eric L. Wu, John F. Fraser, +1 more
1citations -
Multiscale relaxation dynamics and diffusion of myelin basic protein in solution studied by quasielastic neutron scattering2021 The Journal of Chemical Physics article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics
Abir N. Hassani, Luman Haris, Markus Appel, Tilo Seydel, Andreas Maximilian Stadler, Gerald Reinhard Kneller
16citations -
MiMiC: Multiscale Modeling in Computational Chemistry2020 Frontiers in Molecular Biosciences article Physics and Astronomy Advanced Chemical Physics Studies Open access
Viacheslav Bolnykh, Jógvan Magnus Haugaard Olsen, Simone Meloni, Martin P. Bircher, Emiliano Ippoliti, Paolo Carloni, +1 more
10citations -
A Multiscale Approach for Estimating Permeability Properties of Polymers with Complex Aromatic Backbones: A Case Study on Diffusivity of Small Gas Molecules in Polyphenylene Ether2020 Macromolecular Theory and Simulations article Engineering Membrane Separation and Gas Transport
Augustinus J. M. Sweere, Bhaskar Patham, Vijayakumar Sugur, Jan‐Willem Handgraaf
5citations -
The AiiDA-Spirit Plugin for Automated Spin-Dynamics Simulations and Multi-Scale Modeling Based on First-Principles Calculations2022 Frontiers in Materials article Physics and Astronomy Magnetic properties of thin films Open access
Philipp Rüßmann, Jordi Ribas Sobreviela, Moritz Sallermann, Markus Hoffmann, Florian Rhiem, Stefan Blügel
4citations -
The AiiDA-Spirit plugin for automated spin-dynamics simulations and multi-scale modelling based on first-principles calculations2021 JuSER (Forschungszentrum Jülich) dataset Physics and Astronomy Magnetic properties of thin films Open access
Philipp Rüßmann, Jordi Ribas Sobreviela, Moritz Sallermann, Markus Hoffmann, Florian Rhiem, Stefan Blügel
1citations -
A Systematic Review of Differential Equation Models of Neurodegenerative Disease Dynamics: Methods, Architectures, and Future Research Directions0citations
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A Multiscale Approach for Estimating Permeability and Migration of Large Permeants through Poly(Phenylene Ether)2021 Macromolecular Theory and Simulations article Chemistry Advanced Physical and Chemical Molecular Interactions
Augustinus J. M. Sweere, Bhaskar Patham, Vijayakumar Sugur, Jan‐Willem Handgraaf, Patrick A. Rodgers
1citations -
ConGen—A Simulator-Agnostic Visual Language for Definition and Generation of Connectivity in Large and Multiscale Neural Networks2022 Frontiers in Neuroinformatics article Neuroscience Neural dynamics and brain function Open access
Patrick Herbers, Iago Calvo, Sandra Diaz-Pier, Óscar D. Robles, Susana Mata, Pablo Toharia, +4 more
0citations -
Experiment and multiscale molecular simulations on the Cu absorption by biochar-modified asphalt: An insight into removal capability and mechanism of heavy metals from stormwater runoff2023 Chemical Engineering Journal article Environmental Science Adsorption and biosorption for pollutant removal
Yohannes Lim Yaphary, Mingjing He, Guoyang Lu, Fuliao Zou, Pengfei Liu, Daniel C.W. Tsang, +1 more
60citations -
Multiscale understanding of interfacial behavior between bitumen and aggregate: From the aggregate mineralogical genome aspect2020 Construction and Building Materials article Engineering Asphalt Pavement Performance Evaluation cited by 1 patent
Zepeng Fan, Jiao Lin, Zixuan Chen, Pengfei Liu, Dawei Wang, Markus Oeser
44citations -
A Multiscale Spatiotemporal Model Including a Switch from Aerobic to Anaerobic Metabolism Reproduces Succession in the Early Infant Gut Microbiota2022 mSystems article Biochemistry, Genetics and Molecular Biology Gut microbiota and health Open access
David M. Versluis, Ruud Schoemaker, Ellen Looijesteijn, Daniël Muysken, Prescilla V. Jeurink, Marcel Paques, +2 more
22citations -
Non-intrusive hierarchical coupling strategies for multi-scale simulations in gravitational dynamics2020 Communications in Nonlinear Science and Numerical Simulation article Mathematics Numerical methods for differential equations Open access
Simon Portegies Zwart, Inti Pelupessy, C. A. Martínez-Barbosa, A. van Elteren, Steve McMillan
16citations