Ka Un Lao

38PUBLICATIONS
39CO-AUTHORS
Computational chemistryStructural properties of condensed matterMetal organic frameworksChemical thermodynamics and energeticsApproximation theory and asymptotic methods
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Publications (38)

|Jun 26, 2026
Accelerating geometry optimization via Grassmann-DIIS extrapolation.

|May 23, 2026
Benchmarking Nanoscale Noncovalent Complexes at the Two-Hundred-Atom Scale with Converged Local CCSD(T).

|May 16, 2026
Crystal Structure and Morphology-Controlled Synthesis of Co1-xMnxP Nanocrystals and Their Composition-Dependent Electrocatalytic Activity for the Hydrogen Evolution Reaction.

|Mar 23, 2026
Water-Mediated Isomerization in the Stepwise Hydration of the Nitrobenzene Radical Cation with 1-6 Water Molecules.

Zachary A Christensen, John P Saunier, Kyle A Mason

|Oct 10, 2025
Grassmann extrapolation via direct inversion in the iterative subspace.

Ka Un Lao, Kalana Wickramasinghe, Jake A Tan

|Aug 04, 2025
Accurate and Rapid Ranking of Protein-Ligand Binding Affinities Using Density Matrix Fragmentation and Physics-Informed Machine Learning Dispersion Potentials.

Ka Un Lao, Danyang Wang

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Frequent Collaborators

5 joint publications

Robert A DiStasio

5 joint publications

Jake A Tan

4 joint publications

Corentin Villot

4 joint publications

Francisco Ballesteros