112 citations · 112 across the 3 of their papers we have counts for
3 papers
physics.chem-ph2019
Operator quantum machine learning: Navigating the chemical space of response properties
Anders S. Christensen, O. Anatole von Lilienfeld
The identification and use of structure property relationships lies at the heart of the chemical sciences. Quantum mechanics forms the basis for the unbiased virtual exploration of…
physics.chem-ph2019★ 112 cited
A Universal Density Matrix Functional from Molecular Orbital-Based Machine Learning: Transferability across Organic Molecules
Lixue Cheng, Matthew Welborn, Anders S. Christensen +1
We address the degree to which machine learning can be used to accurately and transferably predict post-Hartree-Fock correlation energies. Refined strategies for feature design and…
physics.chem-ph2014
Protein Structure Determination Using Chemical Shifts
Anders S. Christensen
In this PhD thesis, a novel method to determine protein structures using chemical shifts is presented.