Self-Correcting Machine Learning and Structure-Based Sampling

P. O. Dral, A. Owens, S. N. Yurchenko, W. Thiel, Structure-Based Sampling and Self-Correcting Machine Learning for Accurate Calculations of Potential Energy Surfaces and Vibrational Levels. J. Chem. Phys. 2017, 146, 244108.

Read more ›

Leave a Reply

Your email address will not be published. Required fields are marked *

*