Publications DMP group

Cao, S.; Nüske, F.; Liu, B.; Soley, M.; Huang, X.: AMUSET-TICA: A Tensor-Based Approach for Identifying Slow Collective Variables in Biomolecular Dynamics. Journal of Chemical Theory and Computation (2025)

Moqvist, S.; Chen, W.; Schreiner, M.; Nüske, F.; Olsson, S.: Thermodynamic Interpolation: A generative approach to molecular thermodynamics and kinetics. Journal of Chemical Theory and Computation 21 (5), pp. 2535 - 2545 (2025)

Peitz, S.; Harder, H.; Nüske, F.; Philipp, F.; Schaller, M.; Worthmann, K.: Equivariance and partial observations in Koopman operator theory for partial differential equations. Journal of Computational Dynamics 12 (2), pp. 305 - 324 (2025)

Guo, L.; Heiland, J.; Nüske, F.: Koopman-based Control for Stochastic Systems: Application to Enhanced Sampling. 11th Vienna International Conference on Mathematical Modelling MATHMOD 2025 , Vienna, Austria, February 19, 2025 - February 21, 2025. IFAC-PapersOnLine 59 (1), pp. 283 - 288 (2025)

Philipp, F.; Schaller, M.; Worthmann, K.; Peitz, S.; Nüske, F.: Invariance of Gaussian RKHSs under Koopman operators of stochastic differential equations with constant matrix coefficients. Proceedings in Applied Mathematics and Mechanics 25 (1), e202400127, (2025)