Brian L. Van Hoozen

Assessing Gaussian Process Regression and Permutationally Invariant Polynomial Approaches To Represent High-Dimensional Potential Energy Surfaces

Chen Qu, Qi Yu, Brian L. Van Hoozen et al. · Journal of Chemical Theory and Computation · 2018 · 102 citations

Origin of the 900 cm−1 broad double-hump OH vibrational feature of strongly hydrogen-bonded carboxylic acids

Brian L. Van Hoozen, Poul B. Petersen · The Journal of Chemical Physics · 2015 · 26 citations

Origin of the Hadži ABC structure: An <i>ab initio</i> study

Brian L. Van Hoozen, Poul B. Petersen · The Journal of Chemical Physics · 2015 · 19 citations

Vibrational tug-of-war: The pKA dependence of the broad vibrational features of strongly hydrogen-bonded carboxylic acids

Brian L. Van Hoozen, Poul B. Petersen · The Journal of Chemical Physics · 2018 · 17 citations

A combined electronic structure and molecular dynamics approach to computing the OH vibrational feature of strongly hydrogen-bonded carboxylic acids

Brian L. Van Hoozen, Poul B. Petersen · The Journal of Chemical Physics · 2017 · 13 citations