Max Schwilk

Scalable electron correlation methods I.: PNO-LMP2 with linear scaling in the molecular size and near-inverse-linear scaling in the number of processors.

Hans-Joachim Werner, Gerald Knizia, Christine Krause, 2015, Journal of chemical theory and computation.

Machine learning the computational cost of quantum chemistry

O. Anatole von Lilienfeld, Stefan Heinen, Guido Falk von Rudorff, 2019, Mach. Learn. Sci. Technol..

Scalable Electron Correlation Methods. 3. Efficient and Accurate Parallel Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD).

Hans-Joachim Werner, Qianli Ma, Max Schwilk, 2017, Journal of chemical theory and computation.

Communication: Improved pair approximations in local coupled-cluster methods.

Hans-Joachim Werner, Denis Usvyat, Max Schwilk, 2015, The Journal of chemical physics.

Explicitly Correlated Local Electron Correlation Methods

Hans-Joachim Werner, Qianli Ma, Max Schwilk, 2017 .

Scalable Electron Correlation Methods. 4. Parallel Explicitly Correlated Local Coupled Cluster with Pair Natural Orbitals (PNO-LCCSD-F12).

Hans-Joachim Werner, Qianli Ma, Max Schwilk, 2017, Journal of chemical theory and computation.