Pablo Unzueta

6PUBLICATIONS
89CO-AUTHORS
Catalysis and mechanisms of reactionsComputational chemistryTheoretical quantum chemistryDeep learningRadiation and matter
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Publications (6)

|Aug 15, 2026
Elucidating Norrish type I reactive pathways by ultrafast X-ray absorption spectroscopy.

|Oct 17, 2024
The seventh blind test of crystal structure prediction: structure ranking methods.

Lily M Hunnisett, Nicholas Francia, Jonas Nyman

|Jun 24, 2024
Prediction of photodynamics of 200 nm excited cyclobutanone with linear response electronic structure and ab initio multiple spawning.

Diptarka Hait, Dean Lahana, O Jonathan Fajen

|May 16, 2023
Single-Point Extrapolation to the Complete Basis Set Limit through Deep Learning.

Soren Holm, Pablo A Unzueta, Keiran Thompson

|Aug 05, 2020
Polarizable continuum models provide an effective electrostatic embedding model for fragment-based chemical shift prediction in challenging systems.

Pablo A Unzueta, Gregory J O Beran

|Jun 26, 2019
Improving the accuracy of solid-state nuclear magnetic resonance chemical shift prediction with a simple molecular correction.

Martin Dračínský, Pablo Unzueta, Gregory J O Beran

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Frequent Collaborators

3 joint publications

Gregory J O Beran

3 joint publications

Todd J Martínez

2 joint publications

Diptarka Hait

1 joint publications

Keiran Thompson