Martin Head-Gordon

183PUBLICATIONS
266CO-AUTHORS
Biomolecular modelling and designMetal organic frameworksComputational chemistryMain group metal chemistryTheoretical quantum chemistry
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Publications (183)

|Jun 19, 2026
Energetics of Noncovalent Interactions of Protein-Ligand Complexes for Drug Discovery.

|Jun 12, 2026
Toward Hydrogen Isotope Separations through Strong Hydrogen Adsorption at Open Copper(I) Sites in an Ultramicroporous Metal-Organic Framework.

|May 06, 2026
Consistent inclusion of triple substitutions within a coupled cluster based static quantum embedding theory.

|Apr 24, 2026
Origins of the selectivity of late transition metals of Group 9 and Group 10 for oxidative addition of C-H <i>vs.</i> C-Cl bonds.

|Apr 24, 2026
An Improved Size-Consistent Second-Order Brillouin-Wigner Perturbation Theory: Which Desirable Properties Are Compatible with Unconditional Size-Consistency and Optimized Chemical Accuracy?

|Mar 20, 2026
An Algorithm for Atom-Centered Lossy Compression of the Atomic Orbital Basis in Density Functional Theory Calculations.

Anthony O Lara, Justin J Talbot, Zhe Wang

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Frequent Collaborators

27 joint publications

Diptarka Hait

21 joint publications

Teresa Head-Gordon

15 joint publications

Joonho Lee

12 joint publications

Matthias Loipersberger