Publications of Yaoyi Chen

Krämer, A.; Durumeric, A. E. P.; Charron, N. E.; Chen, Y.; Clementi , C.; Noé , F.: Statistically Optimal Force Aggregation for Coarse-Graining Molecular Dynamics. The Journal of Physical Chemistry Letters 14 (17), pp. 3970 - 3979 (2023)

Köhler, J.; Chen, Y.; Krämer, A.; Clementi, C.; Noé, F.: Flow-Matching: Efficient Coarse-Graining of Molecular Dynamics. Journal of Chemical Theory and Computation 19 (3), pp. 942 - 952 (2023)

Chen, Y.; Krämer, A.; Charron, N. E.; Husic, B. E.; Clementi, C.; Noé, F.: Machine learning implicit solvation for molecular dynamics. The Journal of Chemical Physics 155 (8), 084101 (2021)

Husic, B. E.; Charron, N. E.; Lemm, D.; Wang, J.; Pérez, A.; Majewski, M.; Krämer, A.; Chen, Y.; Olsson, S.; de Fabritiis, G. et al.; Noé, F.; Clementi, C.: Coarse graining molecular dynamics with graph neural networks. The Journal of Chemical Physics 153, 194101 (2020)