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Hessian Matrix Update Scheme for Transition State Search Based on Gaussian Process Regression

, and . Journal of Chemical Theory and Computation, 16 (8): 5083-5089 (2020)
DOI: 10.1021/acs.jctc.0c00348

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Alexander Verl

On the Dynamics and Emergency Stop Behavior of Cable-Driven Parallel Robots, , and . ROMANSY 21 - Robot Design, Dynamics and Control, volume 569 of CISM International Centre for Mechanical Sciences, page 431--438. Switzerland, Springer Verlag and Springer International Publishing, (2016)
 

Other publications of authors with the same name

Chemical structure prediction based on machine learning. Universität Stuttgart, Stuttgart, Dissertation, (2020)Gaussian Process Regression for Transition State Search, and . J. Chem. Theory Comput., (2018)Gaussian Process Regression for Transition State Search, and . Journal of chemical theory and computation, 14 (11): 5777-5786 (2018)Hessian Matrix Update Scheme for Transition State Search Based on Gaussian Process Regression, and . Journal of Chemical Theory and Computation, 16 (8): 5083-5089 (2020)Gaussian process regression for geometry optimization, and . Journal of chemical physics, 148 (9): 094114 (2018)Gaussian Process Regression for Minimum Energy Path Optimization and Transition State Search, , and . Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 123 (44): 9600-9611 (2019)Gaussian process regression for geometry optimization, and . J. Chem. Phys., 148 (9): 094114 (2018)