Pablo A Unzueta

Publication Activity (10 Years)

Years Active: 2020-2023
Publications (10 Years): 2

Top Topics

Density Functional Theory

Molecular Dynamics Simulations

Mass Spectrometry

Top Venues

Journal of computational chemistry

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Soren Holm, Pablo A Unzueta, Keiran C Thompson, Todd J Martinez
Single-Point Extrapolation to the Complete Basis Set Limit through Deep Learning. Journal of chemical theory and computation (2023)
Pablo A Unzueta, Gregory J O Beran
Polarizable continuum models provide an effective electrostatic embedding model for fragment-based chemical shift prediction in challenging systems. Journal of computational chemistry 41 (26) (2020)