Christopher J Stein

20PUBLICATIONS
37CO-AUTHORS
Statistical mechanics, physical combinatorics and mathematical aspects of condensed matterCondensed matter modelling and density functional theoryOptimisationTheoretical quantum chemistryCatalysis and mechanisms of reactions
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Publications (20)

|Sep 14, 2026
BOS-TMC Data Set: DFT Properties of 159k Experimentally Characterized Transition Metal Complexes Spanning Multiple Charge and Spin States.

|Sep 04, 2026
Interaction-energy statistics from structural correlations.

|May 11, 2026
Short-Range Machine-Learning Potentials for Aqueous Electrolyte Solutions.

|Mar 10, 2026
Extensions to Extended Tight-Binding Methods for Transition-Metal Containing Systems.

Siyavash Moradi, Rebecca Tomann, Martin Head-Gordon

|Dec 05, 2025
Catalytic Enantioselective [6π] Photocyclization Reactions by Chromophore Activation with a Chiral Lewis Acid.

Dominik Grünwald, Chithra Mohan Jayakumari, Noah Jeremias

|Nov 12, 2025
Optimizing Extended Tight-Binding Methods for Metal-Surface Interactions.

Siyavash Moradi, Pooria Dabbaghi, Christopher J Stein

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Frequent Collaborators

3 joint publications

Martin Head-Gordon

3 joint publications

Nicola Bogo

2 joint publications

Markus Reiher

2 joint publications

Guido H Clever