Want to learn more about TREX? On this page, you can find our archive of informative publication materials: reports, deliverables, presentations and articles from experts within the TREX community speaking about various TREX related topics. All the public materials published by TREX partners are available on the TREX Zenodo Community: https://zenodo.org/communities/trex/

Spin-adapted selected configuration interaction in a determinant basis

Vijay Gopal Chilkuri, Thomas Applencourt, Kevin Gasperich, Pierre-François Loos, Anthony Scemama


Energy-free machine learning predictions of ab initio structures

Dominik Lemm, Guido Falk von Rudorff, O. Anatole von Lilienfeld


Elucidating atmospheric brown carbon -- Supplanting chemical intuition with exhaustive enumeration and machine learning

Enrico Tapavicza, Guido Falk von Rudorff, David O. De Haan, Mario Contin, Christian George, Matthieu Riva, O. Anatole von Lilienfeld


Machine Learning of Free Energies in Chemical Compound Space Using Ensemble Representations: Reaching Experimental Uncertainty for Solvation

Jan Weinreich, Nicholas J. Browning, O. Anatole von Lilienfeld


Ab initio machine learning in chemical compound space

Bing Huang, O. Anatole von Lilienfeld


Software development strategy in the TREX Center of Excellence