2023 - Publications

Enhanced Sampling Methods for Molecular Dynamics Simulations
Jérôme Hénin, Tony Lelièvre, Michael R. Shirts, Omar Valsson, and Lucie Delemotte
Living Journal of Computational Molecular Science, 4(1), 1583 (2023)
see publication

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Sampling rare event energy landscapes via birth-death augmented dynamics
Benjamin Pampel, Simon Holbach, Lisa Hartung, and Omar Valsson
Phys. Rev. E 107, 024141 (2023)
see publication

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Stability, Speed, and Constraints for Structural Coarse-Graining in VOTCA
Marvin P. Bernhardt, Martin Hanke, and Nico F.A. van der Vegt
Journal of Chemical Theory and Computation (2023)
see publication

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