activity
20152026
most citedPseudo generators for under-resolved molecular dynamics

5 citations · 5 across the 6 of their papers we have counts for

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Showing 2026Show all

2 papers · 1 filter

physics.comp-ph2026

Optimal Bias Potentials via Ergodic Optimal Control and Generator Learning

Lei Guo, Carsten Hartmann, Thomas Berger +1

We investigate the computation of optimal bias potentials for accelerating transitions between metastable states and for computation of equilibrium properties in molecular dynamics…

math.PR2026

Realisation of constraints in underdamped Langevin dynamics

Carsten Hartmann, Lara Neureither, Upanshu Sharma

This article deals with the realisation of constraints in underdamped Langevin dynamics via soft-constrained dynamics. Specifically, we study systems with a large (or small) parame…