Christopher J Stein

18PUBLICATIONS
32CO-AUTHORS
OptimisationTheoretical quantum chemistryCatalysis and mechanisms of reactionsChemical thermodynamics and energeticsComputational chemistry
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Publications (18)

|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

|Sep 15, 2025
Understanding Electronic Excitations Between Single Determinants with Occupied-Virtual Orbitals for Chemical Valence.

Hengyuan Shen, Nicola Bogo, Christopher J Stein

|Aug 07, 2025
Efficient Electronic-Structure Methods Toward Catalyst Screening: Projection-Based Embedding Theory for CO2 Reduction Reaction Intermediates.

Elena Kolodzeiski, 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