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Promoting transparency and reproducibility in enhanced molecular simulations
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  • 2019Sharing Data from Molecular Simulations55 cited
  • 2025PLUMED Tutorials: A collaborative, community-driven learning ecosystem36 cited
  • 2023Molecular Simulation Strategies for Understanding the Degradation Mechanisms of Acrylic Polymers19 cited
  • 2026Uncertainty Quantification for In Silico Chemistry13 cited
  • 2023MDAKits: A Framework for FAIR-Compliant Molecular Simulation Analysis8 cited
  • 2023pARTn: A plugin implementation of the Activation Relaxation Technique nouveau that takes over the FIRE minimisation algorithm8 cited

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