Gunnar Schmitz

Publication Activity (10 Years)

Years Active: 2021-2023
Publications (10 Years): 2

Top Topics

Regression Model

Chemical Reactions

Gaussian Process Regression

Top Venues

J. Comput. Chem.

Publications

Gunnar Schmitz, Bastian Schnieder
Adaptive regularized Gaussian process regression for application in the context of hydrogen adsorption on graphene sheets. J. Comput. Chem. 44 (6) (2023)
Gunnar Schmitz, Özlem Yönder, Bastian Schnieder, Rochus Schmid, Christof Hättig
An automatized workflow from molecular dynamic simulation to quantum chemical methods to identify elementary reactions and compute reaction constants. J. Comput. Chem. 42 (32) (2021)