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1. Near-wall depletion and layering affect contact line friction of multicomponent liquids

2. Asymmetry of wetting and de-wetting on high-friction surfaces originates from the same molecular physics

4. Nanoscale sheared droplet: Volume-of-Fluid, phase-field and no-slip molecular dynamics

5. Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS

6. Steady moving contact line of water over a no-slip substrate

7. Electrowetting diminishes contact line friction in molecular wetting

8. Riemann metric approach to optimal sampling of multidimensional free-energy landscapes

9. A comparison of the Spectral Ewald and Smooth Particle Mesh Ewald methods in GROMACS

10. Molecular Origin of Contact Line Friction in Dynamic Wetting

11. GROMEX: A Scalable and Versatile Fast Multipole Method for Biomolecular Simulation

12. phbuilder : A Tool for Efficiently Setting up Constant pH Molecular Dynamics Simulations in GROMACS

13. Near-wall depletion and layering affect contact line friction of multicomponent liquids

14. Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS

16. Accelerated weight histogram method for exploring free energy landscapes

17. A flexible algorithm for calculating pair interactions on SIMD architectures

20. GROMACS 2023.2 Manual

21. Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS

23. Intro to HPC for Life Scientists: Mapping computation to HPC hardware & GPU accelerators and heterogeneous architectures

24. Intro to HPC for Life Scientists: GPU accelerators and heterogeneous architectures

28. BioExcel-2 Deliverable D1.6 – Final project release

29. Nanoscale sheared droplet : volume-of-fluid, phase-field and no-slip molecular dynamics

30. Skin permeability prediction with MD simulation sampling spatial and alchemical reaction coordinates

32. Best Practices in Constant pH MD Simulations : Accuracy and Sampling

34. Fitness Check 2021 – BioExcel CoE Scalability Report of Flagship codes

38. BioExcel-2 D1.5 – Long-term hardware and application roadmap

39. BioExcel Webinar #52 :What's new in GROMACS 2021 (2021-02-18)

40. The accelerated weight histogram method for alchemical free energy calculations

41. Using Lambda Dynamics to Study Protonation States of GLIC

42. BioExcel-2 D1.3 – Updated Software Roadmap

43. BioExcel-2 Deliverable 1.4 Project release of core applications

44. Steady moving contact line of water over a no-slip substrate

45. Gromex : A scalable and versatile fast multipole method for biomolecular simulation

46. Steady moving contact line of water over a no-slip substrate Challenges in benchmarking phase-field and volume-of-fluid methods against molecular dynamics simulations

47. Electrowetting diminishes contact line friction in molecular wetting

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